(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide

C26H36N2O3 — CID 69322278

IUPAC(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CCC(C)C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C26H36N2O3/c1-4-23(29)12-6-5-7-13-24(28-25(30)17-14-19(2)3)26(31)27-22-16-15-20-10-8-9-11-21(20)18-22/h8-11,15-16,18-19,24H,4-7,12-14,17H2,1-3H3,(H,27,31)(H,28,30)/t24-/m0/s1
InChIKeyIIJPTSDTGYNEJB-DEOSSOPVSA-N
MW424.59 g/mol
LogP5.63
Rot. Bonds13

About (2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide

(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide (PubChem CID 69322278) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is (2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide.

Molecular Properties

Compound Name(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide
PubChem CID69322278
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC Name(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide
SMILESCCC(=O)CCCCC[C@H](NC(=O)CCC(C)C)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C26H36N2O3/c1-4-23(29)12-6-5-7-13-24(28-25(30)17-14-19(2)3)26(31)27-22-16-15-20-10-8-9-11-21(20)18-22/h8-11,15-16,18-19,24H,4-7,12-14,17H2,1-3H3,(H,27,31)(H,28,30)/t24-/m0/s1
InChIKeyIIJPTSDTGYNEJB-DEOSSOPVSA-N
XLogP5.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 55.63
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

(2S)-N-(3-acetylphenyl)-2-(4-methylpentanoylamino)-8-oxodecanamide
CID 69320613
(2S)-2-(4-methylpentanoylamino)-8-oxo-N-pyridin-3-yldecanamide
CID 69323988
N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxodecan-2-yl]-2-(tetrazol-1-yl)benzamide
CID 69318032
N-[3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]nonanamide
CID 42703790
N-[(2S)-1-(naphthalen-2-ylamino)-8-oxodecan-2-yl]acetamide
CID 151667260
[(2S)-1-[2-(naphthalene-2-carbonyl)hydrazinyl]-1,8-dioxodecan-2-yl]carbamic acid
CID 67268811
N-[2-[[(2S)-1-(3-acetylanilino)-1,8-dioxodecan-2-yl]amino]-2-oxoethyl]benzamide
CID 69318533
(2S)-2,4-dimethyl-N-naphthalen-2-ylpentanamide
CID 58642005
4-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-9-phenylnonan-2-yl]thiadiazole-5-carboxamide
CID 69319752
tert-butyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-(naphthalen-2-ylamino)-1-oxohexan-2-yl]carbamate
CID 135564367
N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355
(2S)-N-cyclopentyl-8-oxo-2-[(2-phenylacetyl)amino]decanamide
CID 69321917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide?
The IUPAC name of (2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide (CID 69322278) is (2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide.
What is the SMILES notation for (2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide?
The canonical SMILES for (2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide is CCC(=O)CCCCC[C@H](NC(=O)CCC(C)C)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide?
The InChIKey is IIJPTSDTGYNEJB-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-4-23(29)12-6-5-7-13-24(28-25(30)17-14-19(2)3)26(31)27-22-16-15-20-10-8-9-11-21(20)18-22/h8-11,15-16,18-19,24H,4-7,12-14,17H2,1-3H3,(H,27,31)(H,28,30)/t24-/m0/s1.
What are the key properties of (2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide?
(2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide has a molecular weight of 424.59 g/mol, XLogP of 5.63, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methylpentanoylamino)-N-naphthalen-2-yl-8-oxodecanamide is sourced from PubChem (CID 69322278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).