3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide

C16H32N4O3 — CID 167133850

IUPAC3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide
SMILESCCCCCC(N)CC(=O)NCC(=O)NC(CCN)C(=O)CC
InChIInChI=1S/C16H32N4O3/c1-3-5-6-7-12(18)10-15(22)19-11-16(23)20-13(8-9-17)14(21)4-2/h12-13H,3-11,17-18H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWZFWDWWXTKXARS-UHFFFAOYSA-N
MW328.46 g/mol
LogP0.21
Rot. Bonds13

About 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide

3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide (PubChem CID 167133850) has the molecular formula C16H32N4O3 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide.

Molecular Properties

Compound Name3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide
PubChem CID167133850
Molecular FormulaC16H32N4O3
Molecular Weight328.46 g/mol
Exact Mass328.25
IUPAC Name3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide
SMILESCCCCCC(N)CC(=O)NCC(=O)NC(CCN)C(=O)CC
InChIInChI=1S/C16H32N4O3/c1-3-5-6-7-12(18)10-15(22)19-11-16(23)20-13(8-9-17)14(21)4-2/h12-13H,3-11,17-18H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyWZFWDWWXTKXARS-UHFFFAOYSA-N
XLogP0.21
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide with MolForge

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Related Compounds

2-[[2-[(4-amino-2-methylbutanoyl)amino]acetyl]amino]-N-(1-amino-4-oxopentan-3-yl)decanamide
CID 91405705
N-[(3S)-1-amino-4-oxohexan-3-yl]-3-hydroxybutanamide
CID 144918100
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219
3-aminononanoic acid
CID 2832746
(2S)-6-amino-N-(2-amino-2-oxoethyl)-2-[[2-(butanoylamino)acetyl]amino]hexanamide
CID 177028623
N-[(2R)-1,4-diamino-1-oxobutan-2-yl]decanamide
CID 142575651
N-[2-[[(2S)-1-[[(3S)-1-amino-5-methyl-4-oxohexan-3-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]octanamide
CID 126693998
N-(2-aminoethyl)-3-butyloctanamide
CID 88999153
N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide
CID 163742124
sodium;3-aminohenicosanoic acid;hydride
CID 175144455
N-[6-amino-1-[6-[[6-amino-2-(dodecanoylamino)hexanoyl]amino]hexylamino]-1-oxohexan-2-yl]dodecanamide
CID 10010617
(2S)-4-amino-2-[[2-(dodecanoylamino)acetyl]amino]-4-oxobutanoic acid
CID 175700078

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide?
The IUPAC name of 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide (CID 167133850) is 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide.
What is the SMILES notation for 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide?
The canonical SMILES for 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide is CCCCCC(N)CC(=O)NCC(=O)NC(CCN)C(=O)CC.
What is the InChIKey of 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide?
The InChIKey is WZFWDWWXTKXARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O3/c1-3-5-6-7-12(18)10-15(22)19-11-16(23)20-13(8-9-17)14(21)4-2/h12-13H,3-11,17-18H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide?
3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide has a molecular weight of 328.46 g/mol, XLogP of 0.21, 13 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(1-amino-4-oxohexan-3-yl)amino]-2-oxoethyl]octanamide is sourced from PubChem (CID 167133850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).