(2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide

C24H36N2O4 — CID 69320613

IUPAC(2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CCC(C)C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C24H36N2O4/c1-5-21(28)12-7-6-8-13-22(26-23(29)15-14-17(2)3)24(30)25-20-11-9-10-19(16-20)18(4)27/h9-11,16-17,22H,5-8,12-15H2,1-4H3,(H,25,30)(H,26,29)/t22-/m0/s1
InChIKeyUNKFDUWQMOXFGS-QFIPXVFZSA-N
MW416.56 g/mol
LogP4.68
Rot. Bonds14

About (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide

(2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide (PubChem CID 69320613) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide
PubChem CID69320613
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name(2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CCC(C)C)C(=O)Nc1cccc(C(C)=O)c1
InChIInChI=1S/C24H36N2O4/c1-5-21(28)12-7-6-8-13-22(26-23(29)15-14-17(2)3)24(30)25-20-11-9-10-19(16-20)18(4)27/h9-11,16-17,22H,5-8,12-15H2,1-4H3,(H,25,30)(H,26,29)/t22-/m0/s1
InChIKeyUNKFDUWQMOXFGS-QFIPXVFZSA-N
XLogP4.68
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide 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-[2-[[(2S)-1-(3-acetylanilino)-1,8-dioxodecan-2-yl]amino]-2-oxoethyl]benzamide
CID 69318533
(2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide
CID 69323988
N-(3-acetylphenyl)propanamide
CID 903063
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7847996
6-methyl-N-[3-(2-methylpropanoyl)phenyl]heptanamide
CID 168735068
2-acetamido-N-(3-acetylphenyl)-3-methylbutanamide
CID 17424287
N-(3-acetylphenyl)octanamide;ethane;molecular hydrogen
CID 170791141
3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
CID 115581776
N-[(2S)-1,8-dioxo-1-(3-phenylanilino)nonan-2-yl]thiophene-3-carboxamide
CID 69318429
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] pentanoate
CID 7790319
methyl 3-(2-methylhexanoylamino)benzoate
CID 114246785
N-[2-[[1,8-dioxo-1-[2-(4-propan-2-ylpiperazin-1-yl)ethylamino]decan-2-yl]amino]-2-oxoethyl]benzamide
CID 69328169

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide (CID 69320613) is (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide is CCC(=O)CCCCC[C@H](NC(=O)CCC(C)C)C(=O)Nc1cccc(C(C)=O)c1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide?
The InChIKey is UNKFDUWQMOXFGS-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-5-21(28)12-7-6-8-13-22(26-23(29)15-14-17(2)3)24(30)25-20-11-9-10-19(16-20)18(4)27/h9-11,16-17,22H,5-8,12-15H2,1-4H3,(H,25,30)(H,26,29)/t22-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide?
(2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide has a molecular weight of 416.56 g/mol, XLogP of 4.68, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide is sourced from PubChem (CID 69320613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).