(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide

C21H26N2O3 — CID 163211996

IUPAC(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)C(=O)NO
InChIInChI=1S/C21H26N2O3/c1-15(2)14-18(19(24)23-26)22-20(25)21(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,26H,14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKeyKJASJBJHZIJJMK-GOSISDBHSA-N
MW354.45 g/mol
LogP3.03
Rot. Bonds7

About (2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide

(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide (PubChem CID 163211996) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide
PubChem CID163211996
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide
SMILESCC(C)C[C@@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)C(=O)NO
InChIInChI=1S/C21H26N2O3/c1-15(2)14-18(19(24)23-26)22-20(25)21(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,26H,14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m1/s1
InChIKeyKJASJBJHZIJJMK-GOSISDBHSA-N
XLogP3.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoic acid
CID 78991000
methyl (2S)-2-[(2-amino-2-phenylpropanoyl)amino]-4-methylpentanoate
CID 103954829
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
2-[(2-amino-2-methylpropanoyl)amino]-4-methyl-N-phenylpentanamide
CID 67891223
2-bromo-N-[(2R)-1-(hydroxyamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 163212007
4-methyl-2-[(2-methyl-3-phenyl-2-sulfanylpropanoyl)amino]pentanoic acid
CID 22144169
(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide
CID 129387880
benzyl (2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoate
CID 102008398
(2R)-4-methyl-2-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pentanoic acid
CID 119363223
(2S)-2-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-4-methylpentanoic acid
CID 80555300
3-hydroxy-N-(4-methylpentan-2-yl)-3-phenylbutanamide
CID 110026094
5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 62487551

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide?
The IUPAC name of (2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide (CID 163211996) is (2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for (2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide?
The canonical SMILES for (2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide is CC(C)C[C@@H](NC(=O)C(C)(c1ccccc1)c1ccccc1)C(=O)NO.
What is the InChIKey of (2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide?
The InChIKey is KJASJBJHZIJJMK-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15(2)14-18(19(24)23-26)22-20(25)21(3,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15,18,26H,14H2,1-3H3,(H,22,25)(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide?
(2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide has a molecular weight of 354.45 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,2-diphenylpropanoylamino)-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 163211996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).