6-amino-N-octadecyl-2-(propanoylamino)hexanamide

C27H55N3O2 — CID 21362219

IUPAC6-amino-N-octadecyl-2-(propanoylamino)hexanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(CCCCN)NC(=O)CC
InChIInChI=1S/C27H55N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-29-27(32)25(22-19-20-23-28)30-26(31)4-2/h25H,3-24,28H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyBKVDMRADGJXKPH-UHFFFAOYSA-N
MW453.76 g/mol
LogP6.39
Rot. Bonds24

About 6-amino-N-octadecyl-2-(propanoylamino)hexanamide

6-amino-N-octadecyl-2-(propanoylamino)hexanamide (PubChem CID 21362219) has the molecular formula C27H55N3O2 and a molecular weight of 453.76 g/mol. Its IUPAC name is 6-amino-N-octadecyl-2-(propanoylamino)hexanamide.

Molecular Properties

Compound Name6-amino-N-octadecyl-2-(propanoylamino)hexanamide
PubChem CID21362219
Molecular FormulaC27H55N3O2
Molecular Weight453.76 g/mol
Exact Mass453.43
IUPAC Name6-amino-N-octadecyl-2-(propanoylamino)hexanamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(CCCCN)NC(=O)CC
InChIInChI=1S/C27H55N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-29-27(32)25(22-19-20-23-28)30-26(31)4-2/h25H,3-24,28H2,1-2H3,(H,29,32)(H,30,31)
InChIKeyBKVDMRADGJXKPH-UHFFFAOYSA-N
XLogP6.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.76
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-N-octadecyl-2-(propanoylamino)hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-amino-1-[6-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]hexylamino]-1-oxohexan-2-yl]dodecanamide
CID 10010617
N-[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-[[8-[[6-amino-1-oxo-1-(pentylamino)hexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 122633004
N-[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-6-amino-1-[[8-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]dodecanamide
CID 53325952
6-amino-2-[5-[[6-amino-2-(hexadecanoylamino)hexanoyl]amino]pentanoylamino]hexanoic acid
CID 24967835
N-[5-amino-1-(dodecylamino)-1-oxopentan-2-yl]docosanamide;hydrochloride
CID 135364007
N-[6-amino-1-[[6-amino-1-[[10-[[6-amino-1-[[6-amino-1-[[10-[(1,6-diamino-1-oxohexan-2-yl)amino]-10-oxodecyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-10-oxodecyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]dodecanamide
CID 71591895
N-[6-amino-1-[[6-amino-1-[[8-[[6-amino-1-[[6-amino-1-[[8-[(1,6-diamino-1-oxohexan-2-yl)amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-8-oxooctyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]dodecanamide
CID 71591923
N-(2-aminoethyl)-N'-[(2S)-6-amino-1-oxo-1-(tetradecylamino)hexan-2-yl]-2-hexadecylpropanediamide
CID 102434558
N-(2-aminoethyl)-N'-[(2S)-6-amino-1-oxo-1-(tetradecylamino)hexan-2-yl]-2-tetradecylpropanediamide
CID 102434564
hexadecyl N-[(2S)-6-amino-1-(octylamino)-1-oxohexan-2-yl]carbamate
CID 135363859
N-[6-amino-1-(octadec-9-enylamino)-1-oxohexan-2-yl]octadeca-9,12-dienamide
CID 123190154
N-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide
CID 174243658

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-octadecyl-2-(propanoylamino)hexanamide?
The IUPAC name of 6-amino-N-octadecyl-2-(propanoylamino)hexanamide (CID 21362219) is 6-amino-N-octadecyl-2-(propanoylamino)hexanamide.
What is the SMILES notation for 6-amino-N-octadecyl-2-(propanoylamino)hexanamide?
The canonical SMILES for 6-amino-N-octadecyl-2-(propanoylamino)hexanamide is CCCCCCCCCCCCCCCCCCNC(=O)C(CCCCN)NC(=O)CC.
What is the InChIKey of 6-amino-N-octadecyl-2-(propanoylamino)hexanamide?
The InChIKey is BKVDMRADGJXKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55N3O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-29-27(32)25(22-19-20-23-28)30-26(31)4-2/h25H,3-24,28H2,1-2H3,(H,29,32)(H,30,31).
What are the key properties of 6-amino-N-octadecyl-2-(propanoylamino)hexanamide?
6-amino-N-octadecyl-2-(propanoylamino)hexanamide has a molecular weight of 453.76 g/mol, XLogP of 6.39, 24 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-octadecyl-2-(propanoylamino)hexanamide is sourced from PubChem (CID 21362219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).