2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide

C20H27N2O3P — CID 4328

IUPAC2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)CC(C(=O)NO)N(Cc1ccccc1)P(C)(=O)c1ccccc1
InChIInChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)
InChIKeyKGUVBHLPMGERAT-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.64
Rot. Bonds8

About 2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide

2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide (PubChem CID 4328) has the molecular formula C20H27N2O3P and a molecular weight of 374.42 g/mol. Its IUPAC name is 2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide
PubChem CID4328
Molecular FormulaC20H27N2O3P
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide
SMILESCC(C)CC(C(=O)NO)N(Cc1ccccc1)P(C)(=O)c1ccccc1
InChIInChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)
InChIKeyKGUVBHLPMGERAT-UHFFFAOYSA-N
XLogP3.64
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide
CID 18666515
methyl (2S)-2-[benzyl(dimethylphosphoryl)amino]-4-methylpentanoate
CID 57270587
(2S)-N-hydroxy-4-methyl-2-[[methyl(phenyl)phosphoryl]amino]pentanamide
CID 129387880
methyl (2S)-2-(dibenzylamino)-4-methylpentanoate
CID 54055592
(2S)-2-[[2-benzyl-3-(hydroxyamino)-3-oxopropanoyl]-methylamino]-4-methylpentanoic acid
CID 88685249
N-hydroxy-2-[[methyl(phenyl)phosphoryl]-(2-phenylethyl)amino]acetamide
CID 10830393
benzyl-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid
CID 175904796
benzyl-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-[2-(2-oxopropanoyl)hydrazinyl]pentan-2-yl]amino]-1-oxopentan-2-yl]carbamic acid
CID 137497754
benzyl-[(2S)-1-[[methoxy-[4-methyl-2-[[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]pentyl]phosphoryl]methylamino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 67863540
benzyl N-[1-[ethoxy(methyl)phosphoryl]-3-methylbutyl]carbamate
CID 10426575
[1-(benzylamino)-4-methyl-1-oxopentan-2-yl]-tert-butylcarbamic acid
CID 53427567
(2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid
CID 72736743

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide?
The IUPAC name of 2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide (CID 4328) is 2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide.
What is the SMILES notation for 2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide?
The canonical SMILES for 2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide is CC(C)CC(C(=O)NO)N(Cc1ccccc1)P(C)(=O)c1ccccc1.
What is the InChIKey of 2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide?
The InChIKey is KGUVBHLPMGERAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23).
What are the key properties of 2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide?
2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide has a molecular weight of 374.42 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide is sourced from PubChem (CID 4328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).