(2R)-2-acetamido-N-(4-oxopentyl)octanamide

C15H28N2O3 — CID 159459456

IUPAC(2R)-2-acetamido-N-(4-oxopentyl)octanamide
SMILESCCCCCC[C@@H](NC(C)=O)C(=O)NCCCC(C)=O
InChIInChI=1S/C15H28N2O3/c1-4-5-6-7-10-14(17-13(3)19)15(20)16-11-8-9-12(2)18/h14H,4-11H2,1-3H3,(H,16,20)(H,17,19)/t14-/m1/s1
InChIKeyZTHSSRINCAZLDQ-CQSZACIVSA-N
MW284.40 g/mol
LogP1.95
Rot. Bonds11

About (2R)-2-acetamido-N-(4-oxopentyl)octanamide

(2R)-2-acetamido-N-(4-oxopentyl)octanamide (PubChem CID 159459456) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(4-oxopentyl)octanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(4-oxopentyl)octanamide
PubChem CID159459456
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(2R)-2-acetamido-N-(4-oxopentyl)octanamide
SMILESCCCCCC[C@@H](NC(C)=O)C(=O)NCCCC(C)=O
InChIInChI=1S/C15H28N2O3/c1-4-5-6-7-10-14(17-13(3)19)15(20)16-11-8-9-12(2)18/h14H,4-11H2,1-3H3,(H,16,20)(H,17,19)/t14-/m1/s1
InChIKeyZTHSSRINCAZLDQ-CQSZACIVSA-N
XLogP1.95
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl (4S)-4-acetamido-5-oxo-5-(pentylamino)pentanoate
CID 102426920
2-acetamidotetracosanoic acid
CID 13224380
2-methyl-N-nonyldecanamide
CID 141429494
4-acetamido-5-[[5-[(2-acetamido-4-carboxybutanoyl)amino]-6-[[6-[[1-[(1-amino-1-oxoheptan-2-yl)amino]-1-oxopropan-2-yl]amino]-5-[2,6-bis[(2-acetamido-4-carboxybutanoyl)amino]hexanoylamino]-6-oxohexyl]amino]-6-oxohexyl]amino]-5-oxopentanoic acid
CID 177097617
N-[6-[2-(butanoylamino)ethylamino]-5-(octanoylamino)-6-oxohexyl]octanamide
CID 129160890
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
methyl 2-acetamidooctanoate
CID 6429509
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219
[6-(carboxyamino)-1-[6-(dodecanoylamino)hexylamino]-1-oxohexan-2-yl]carbamic acid
CID 174242727
4-acetamido-5-oxo-5-(3-oxobutylamino)pentanoic acid
CID 89197770

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(4-oxopentyl)octanamide?
The IUPAC name of (2R)-2-acetamido-N-(4-oxopentyl)octanamide (CID 159459456) is (2R)-2-acetamido-N-(4-oxopentyl)octanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(4-oxopentyl)octanamide?
The canonical SMILES for (2R)-2-acetamido-N-(4-oxopentyl)octanamide is CCCCCC[C@@H](NC(C)=O)C(=O)NCCCC(C)=O.
What is the InChIKey of (2R)-2-acetamido-N-(4-oxopentyl)octanamide?
The InChIKey is ZTHSSRINCAZLDQ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-5-6-7-10-14(17-13(3)19)15(20)16-11-8-9-12(2)18/h14H,4-11H2,1-3H3,(H,16,20)(H,17,19)/t14-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(4-oxopentyl)octanamide?
(2R)-2-acetamido-N-(4-oxopentyl)octanamide has a molecular weight of 284.40 g/mol, XLogP of 1.95, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(4-oxopentyl)octanamide is sourced from PubChem (CID 159459456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).