N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide

C32H60N2O8 — CID 122631868

IUPACN-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCC(=O)N(CCOCCOCCC(C)=O)CCOCCOCCC(C)=O
InChIInChI=1S/C32H60N2O8/c1-4-5-6-7-8-9-10-11-12-14-31(37)33-18-13-15-32(38)34(19-23-41-27-25-39-21-16-29(2)35)20-24-42-28-26-40-22-17-30(3)36/h4-28H2,1-3H3,(H,33,37)
InChIKeyZLSGEBDNVXAZOS-UHFFFAOYSA-N
MW600.84 g/mol
LogP4.66
Rot. Bonds32

About N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide

N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide (PubChem CID 122631868) has the molecular formula C32H60N2O8 and a molecular weight of 600.84 g/mol. Its IUPAC name is N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide.

Molecular Properties

Compound NameN-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide
PubChem CID122631868
Molecular FormulaC32H60N2O8
Molecular Weight600.84 g/mol
Exact Mass600.43
IUPAC NameN-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCCCC(=O)N(CCOCCOCCC(C)=O)CCOCCOCCC(C)=O
InChIInChI=1S/C32H60N2O8/c1-4-5-6-7-8-9-10-11-12-14-31(37)33-18-13-15-32(38)34(19-23-41-27-25-39-21-16-29(2)35)20-24-42-28-26-40-22-17-30(3)36/h4-28H2,1-3H3,(H,33,37)
InChIKeyZLSGEBDNVXAZOS-UHFFFAOYSA-N
XLogP4.66
TPSA120.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds32
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.84
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

12-[[5-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-5-oxopentyl]amino]-12-oxododecanoic acid
CID 122631866
N-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethyl]icosanamide
CID 171841567
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-[5-[2-[2-[3-(diphosphanyl)-3-oxopropoxy]ethoxy]ethyl-[2-[2-(3-oxo-3-phosphanylpropoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide
CID 122631852
N-[5-[2-[3-(diphosphanyl)-3-oxopropoxy]ethyl-[2-(3-oxo-3-phosphanylpropoxy)ethyl]amino]-5-oxopentyl]octadecanamide
CID 122631848
N',N'-dioctadecyl-N-pentylhexanediamide
CID 174301276
N-[2-[octanoyl-[2-(octanoylamino)ethyl]amino]ethyl]octanamide
CID 90402751
N-[2-[2-acetamidoethyl(hexadecanoyl)amino]ethyl]hexadecanamide
CID 3020501
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
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
N-(10-oxoundecyl)dodecanamide
CID 171771299
N-(3-methylbutyl)-N',N'-bis(2-tetradecoxyethyl)butanediamide
CID 176573211

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide?
The IUPAC name of N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide (CID 122631868) is N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide.
What is the SMILES notation for N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide?
The canonical SMILES for N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide is CCCCCCCCCCCC(=O)NCCCC(=O)N(CCOCCOCCC(C)=O)CCOCCOCCC(C)=O.
What is the InChIKey of N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide?
The InChIKey is ZLSGEBDNVXAZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60N2O8/c1-4-5-6-7-8-9-10-11-12-14-31(37)33-18-13-15-32(38)34(19-23-41-27-25-39-21-16-29(2)35)20-24-42-28-26-40-22-17-30(3)36/h4-28H2,1-3H3,(H,33,37).
What are the key properties of N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide?
N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide has a molecular weight of 600.84 g/mol, XLogP of 4.66, 32 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-4-oxobutyl]dodecanamide is sourced from PubChem (CID 122631868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).