3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide

C32H66N4O2 — CID 167059947

IUPAC3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide
SMILESCC(C)CN(CCC(=O)NCCCCCCCCCCNC(=O)CCN(CC(C)C)CC(C)C)CC(C)C
InChIInChI=1S/C32H66N4O2/c1-27(2)23-35(24-28(3)4)21-17-31(37)33-19-15-13-11-9-10-12-14-16-20-34-32(38)18-22-36(25-29(5)6)26-30(7)8/h27-30H,9-26H2,1-8H3,(H,33,37)(H,34,38)
InChIKeyFUDRRRXYQVISCR-UHFFFAOYSA-N
MW538.91 g/mol
LogP6.35
Rot. Bonds25

About 3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide

3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide (PubChem CID 167059947) has the molecular formula C32H66N4O2 and a molecular weight of 538.91 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide
PubChem CID167059947
Molecular FormulaC32H66N4O2
Molecular Weight538.91 g/mol
Exact Mass538.52
IUPAC Name3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide
SMILESCC(C)CN(CCC(=O)NCCCCCCCCCCNC(=O)CCN(CC(C)C)CC(C)C)CC(C)C
InChIInChI=1S/C32H66N4O2/c1-27(2)23-35(24-28(3)4)21-17-31(37)33-19-15-13-11-9-10-12-14-16-20-34-32(38)18-22-36(25-29(5)6)26-30(7)8/h27-30H,9-26H2,1-8H3,(H,33,37)(H,34,38)
InChIKeyFUDRRRXYQVISCR-UHFFFAOYSA-N
XLogP6.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.91
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
4-methyl-N-[3-[[3-[[3-[5-[3-[3-[3-(4-methylpentanoylamino)propanoylamino]propanoylamino]propanoylamino]pentylamino]-3-oxopropyl]amino]-3-oxopropyl]amino]-3-oxopropyl]pentanamide
CID 59046039
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-decylpropanamide
CID 118180367
3-[2-[bis[3-oxo-3-(tridecylamino)propyl]amino]ethyl-[3-oxo-3-(tridecylamino)propyl]amino]-N-dodecylpropanamide
CID 58105724
3-[2-[bis[3-oxo-3-(tetradecylamino)propyl]amino]ethyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 46241399
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-[2-[[3-(dodecylamino)-3-oxopropyl]-[3-oxo-3-(tridecylamino)propyl]amino]ethyl]amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 139468441
3-(dibutylamino)-N-dodecylpropanamide
CID 123574973
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N-[4-[bis(2-hydroxydodecyl)amino]butyl]-3-[4-[bis(2-hydroxydodecyl)amino]butyl-[3-[3-[bis(2-hydroxydodecyl)amino]propylamino]-3-oxopropyl]amino]propanamide
CID 176935587
3-[bis[3-[3-(didodecylamino)propylamino]-3-oxopropyl]amino]-N-[3-(didodecylamino)propyl]propanamide
CID 174289694
N-(7-methyloctyl)-3-sulfanylpropanamide
CID 107818548
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

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide?
The IUPAC name of 3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide (CID 167059947) is 3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide is CC(C)CN(CCC(=O)NCCCCCCCCCCNC(=O)CCN(CC(C)C)CC(C)C)CC(C)C.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide?
The InChIKey is FUDRRRXYQVISCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66N4O2/c1-27(2)23-35(24-28(3)4)21-17-31(37)33-19-15-13-11-9-10-12-14-16-20-34-32(38)18-22-36(25-29(5)6)26-30(7)8/h27-30H,9-26H2,1-8H3,(H,33,37)(H,34,38).
What are the key properties of 3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide?
3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide has a molecular weight of 538.91 g/mol, XLogP of 6.35, 25 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]-N-[10-[3-[bis(2-methylpropyl)amino]propanoylamino]decyl]propanamide is sourced from PubChem (CID 167059947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).