3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide

C51H108N16O6 — CID 167166577

IUPAC3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCN(CCCN(CCCN(CCC(=O)NCCN(C)C)CCC(=O)NCCN(C)C)CCCN(CCC(=O)NCCN(C)C)CCC(=O)NCCN(C)C)CCC(=O)NCCN(C)C
InChIInChI=1S/C51H108N16O6/c1-58(2)40-22-52-46(68)16-34-65(35-17-47(69)53-23-41-59(3)4)31-13-28-64(29-14-32-66(36-18-48(70)54-24-42-60(5)6)37-19-49(71)55-25-43-61(7)8)30-15-33-67(38-20-50(72)56-26-44-62(9)10)39-21-51(73)57-27-45-63(11)12/h13-45H2,1-12H3,(H,52,68)(H,53,69)(H,54,70)(H,55,71)(H,56,72)(H,57,73)
InChIKeyUTWIGPSPMZTNHP-UHFFFAOYSA-N
MW1041.53 g/mol
LogP-2.23
Rot. Bonds48

About 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide

3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 167166577) has the molecular formula C51H108N16O6 and a molecular weight of 1041.53 g/mol. Its IUPAC name is 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID167166577
Molecular FormulaC51H108N16O6
Molecular Weight1041.53 g/mol
Exact Mass1040.86
IUPAC Name3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCN(CCCN(CCCN(CCC(=O)NCCN(C)C)CCC(=O)NCCN(C)C)CCCN(CCC(=O)NCCN(C)C)CCC(=O)NCCN(C)C)CCC(=O)NCCN(C)C
InChIInChI=1S/C51H108N16O6/c1-58(2)40-22-52-46(68)16-34-65(35-17-47(69)53-23-41-59(3)4)31-13-28-64(29-14-32-66(36-18-48(70)54-24-42-60(5)6)37-19-49(71)55-25-43-61(7)8)30-15-33-67(38-20-50(72)56-26-44-62(9)10)39-21-51(73)57-27-45-63(11)12/h13-45H2,1-12H3,(H,52,68)(H,53,69)(H,54,70)(H,55,71)(H,56,72)(H,57,73)
InChIKeyUTWIGPSPMZTNHP-UHFFFAOYSA-N
XLogP-2.23
TPSA207.00 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds48
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001041.53
LogP ≤ 5-2.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide with MolForge

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Related Compounds

3-[acetyl-[3-(dimethylamino)propyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117818
N-[2-(dimethylamino)ethyl]-4-hydroxybutanamide
CID 79002121
N-[2-(dimethylamino)ethyl]-4-(methylamino)butanamide
CID 60841312
N-(3-aminopropyl)-3-[[3-(3-aminopropylamino)-3-oxopropyl]-[3-[bis[3-(3-aminopropylamino)-3-oxopropyl]amino]propyl]amino]propanamide
CID 59391592
N-[2-[bis[3-[2-[[2-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-2-oxoethyl]-[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]-3-(dimethylamino)propanamide
CID 88983416
3-[bis[3-[bis[6-(diethylamino)-3-oxohexyl]amino]propyl]amino]-N-[2-(diethylamino)ethyl]propanamide
CID 165064161
10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid
CID 51038800
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117461
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
3-[3-[2-[3-[bis[3-oxo-3-(undecylamino)propyl]amino]propyl-propylamino]ethyl-propylamino]propyl-[3-oxo-3-(undecylamino)propyl]amino]-N-undecylpropanamide
CID 168851386
3-[butyl(2-sulfanylethyl)amino]-N-(2-sulfanylethyl)propanamide
CID 58811044

Frequently Asked Questions

What is the IUPAC name of 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide (CID 167166577) is 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCN(CCCN(CCCN(CCC(=O)NCCN(C)C)CCC(=O)NCCN(C)C)CCCN(CCC(=O)NCCN(C)C)CCC(=O)NCCN(C)C)CCC(=O)NCCN(C)C.
What is the InChIKey of 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is UTWIGPSPMZTNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H108N16O6/c1-58(2)40-22-52-46(68)16-34-65(35-17-47(69)53-23-41-59(3)4)31-13-28-64(29-14-32-66(36-18-48(70)54-24-42-60(5)6)37-19-49(71)55-25-43-61(7)8)30-15-33-67(38-20-50(72)56-26-44-62(9)10)39-21-51(73)57-27-45-63(11)12/h13-45H2,1-12H3,(H,52,68)(H,53,69)(H,54,70)(H,55,71)(H,56,72)(H,57,73).
What are the key properties of 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide?
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 1041.53 g/mol, XLogP of -2.23, 48 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 167166577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).