12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide

C120H232N8O28P12 — CID 160609498

IUPAC12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide
SMILESCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP.CCCCCCCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP.O=C(O)CCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP.O=C(O)CCCCCCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP
InChIInChI=1S/C33H63N2O8P3.C33H65N2O6P3.C27H51N2O8P3.C27H53N2O6P3/c36-29(17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19-31(38)39)34-22-16-15-18-30(37)35(23-27-42-25-20-32(40)44)24-28-43-26-21-33(41)46-45;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(36)34-23-18-17-20-31(37)35(24-28-40-26-21-32(38)42)25-29-41-27-22-33(39)44-43;30-23(11-7-5-3-1-2-4-6-8-13-25(32)33)28-16-10-9-12-24(31)29(17-21-36-19-14-26(34)38)18-22-37-20-15-27(35)40-39;1-2-3-4-5-6-7-8-9-10-13-24(30)28-17-12-11-14-25(31)29(18-22-34-20-15-26(32)36)19-23-35-21-16-27(33)38-37/h46H,1-28,44-45H2,(H,34,36)(H,38,39);44H,2-29,42-43H2,1H3,(H,34,36);40H,1-22,38-39H2,(H,28,30)(H,32,33);38H,2-23,36-37H2,1H3,(H,28,30)
InChIKeyRFICFDRURFGCCR-UHFFFAOYSA-N
MW2606.89 g/mol
LogP23.74
Rot. Bonds126

About 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide

12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide (PubChem CID 160609498) has the molecular formula C120H232N8O28P12 and a molecular weight of 2606.89 g/mol. Its IUPAC name is 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide.

Molecular Properties

Compound Name12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide
PubChem CID160609498
Molecular FormulaC120H232N8O28P12
Molecular Weight2606.89 g/mol
Exact Mass2605.38
IUPAC Name12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide
SMILESCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP.CCCCCCCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP.O=C(O)CCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP.O=C(O)CCCCCCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP
InChIInChI=1S/C33H63N2O8P3.C33H65N2O6P3.C27H51N2O8P3.C27H53N2O6P3/c36-29(17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19-31(38)39)34-22-16-15-18-30(37)35(23-27-42-25-20-32(40)44)24-28-43-26-21-33(41)46-45;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(36)34-23-18-17-20-31(37)35(24-28-40-26-21-32(38)42)25-29-41-27-22-33(39)44-43;30-23(11-7-5-3-1-2-4-6-8-13-25(32)33)28-16-10-9-12-24(31)29(17-21-36-19-14-26(34)38)18-22-37-20-15-27(35)40-39;1-2-3-4-5-6-7-8-9-10-13-24(30)28-17-12-11-14-25(31)29(18-22-34-20-15-26(32)36)19-23-35-21-16-27(33)38-37/h46H,1-28,44-45H2,(H,34,36)(H,38,39);44H,2-29,42-43H2,1H3,(H,34,36);40H,1-22,38-39H2,(H,28,30)(H,32,33);38H,2-23,36-37H2,1H3,(H,28,30)
InChIKeyRFICFDRURFGCCR-UHFFFAOYSA-N
XLogP23.74
TPSA482.64 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds126
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002606.89
LogP ≤ 523.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide
CID 122631848
N-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide
CID 122631852
12-[[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid
CID 122631854
12-[[5-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid
CID 122631866
N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide
CID 122631868
18-[[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;N-[5-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide;methane
CID 158439737
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
11-(dodecanoylamino)undecanoic acid
CID 4163254
7-(3-propoxypropanoylamino)heptanoic acid
CID 62688600
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
4-(tridecanoylamino)butanoic acid
CID 164851630

Frequently Asked Questions

What is the IUPAC name of 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide?
The IUPAC name of 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide (CID 160609498) is 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide.
What is the SMILES notation for 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide?
The canonical SMILES for 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide is CCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP.CCCCCCCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP.O=C(O)CCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP.O=C(O)CCCCCCCCCCCCCCCCC(=O)NCCCCC(=O)N(CCOCCC(=O)P)CCOCCC(=O)PP.
What is the InChIKey of 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide?
The InChIKey is RFICFDRURFGCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H63N2O8P3.C33H65N2O6P3.C27H51N2O8P3.C27H53N2O6P3/c36-29(17-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19-31(38)39)34-22-16-15-18-30(37)35(23-27-42-25-20-32(40)44)24-28-43-26-21-33(41)46-45;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(36)34-23-18-17-20-31(37)35(24-28-40-26-21-32(38)42)25-29-41-27-22-33(39)44-43;30-23(11-7-5-3-1-2-4-6-8-13-25(32)33)28-16-10-9-12-24(31)29(17-21-36-19-14-26(34)38)18-22-37-20-15-27(35)40-39;1-2-3-4-5-6-7-8-9-10-13-24(30)28-17-12-11-14-25(31)29(18-22-34-20-15-26(32)36)19-23-35-21-16-27(33)38-37/h46H,1-28,44-45H2,(H,34,36)(H,38,39);44H,2-29,42-43H2,1H3,(H,34,36);40H,1-22,38-39H2,(H,28,30)(H,32,33);38H,2-23,36-37H2,1H3,(H,28,30).
What are the key properties of 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide?
12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide has a molecular weight of 2606.89 g/mol, XLogP of 23.74, 126 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid;18-[[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]amino]-18-oxooctadecanoic acid;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide is sourced from PubChem (CID 160609498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).