(2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide

C27H33N2O3P — CID 18666515

IUPAC(2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide
SMILESCC(C)C[C@H](C(=O)NOCc1ccccc1)N(Cc1ccccc1)P(C)(=O)c1ccccc1
InChIInChI=1S/C27H33N2O3P/c1-22(2)19-26(27(30)28-32-21-24-15-9-5-10-16-24)29(20-23-13-7-4-8-14-23)33(3,31)25-17-11-6-12-18-25/h4-18,22,26H,19-21H2,1-3H3,(H,28,30)/t26-,33?/m1/s1
InChIKeyVRFNUGKYAOEODC-UOQVMRJOSA-N
MW464.55 g/mol
LogP5.38
Rot. Bonds11

About (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide

(2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide (PubChem CID 18666515) has the molecular formula C27H33N2O3P and a molecular weight of 464.55 g/mol. Its IUPAC name is (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide.

Molecular Properties

Compound Name(2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide
PubChem CID18666515
Molecular FormulaC27H33N2O3P
Molecular Weight464.55 g/mol
Exact Mass464.22
IUPAC Name(2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide
SMILESCC(C)C[C@H](C(=O)NOCc1ccccc1)N(Cc1ccccc1)P(C)(=O)c1ccccc1
InChIInChI=1S/C27H33N2O3P/c1-22(2)19-26(27(30)28-32-21-24-15-9-5-10-16-24)29(20-23-13-7-4-8-14-23)33(3,31)25-17-11-6-12-18-25/h4-18,22,26H,19-21H2,1-3H3,(H,28,30)/t26-,33?/m1/s1
InChIKeyVRFNUGKYAOEODC-UOQVMRJOSA-N
XLogP5.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.55
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[benzyl-[methyl(phenyl)phosphoryl]amino]-N-hydroxy-4-methylpentanamide
CID 4328
methyl (2S)-2-[benzyl(dimethylphosphoryl)amino]-4-methylpentanoate
CID 57270587
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide
CID 10717280
2-(carbamoylamino)-4-methyl-N-phenylmethoxypentanamide
CID 60668454
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
ethyl 4-methyl-2-(phenylmethoxycarbamoyl)pentanoate
CID 10402138
benzyl N-[1-[ethoxy(methyl)phosphoryl]-3-methylbutyl]carbamate
CID 10426575
methyl (2S)-2-(dibenzylamino)-4-methylpentanoate
CID 54055592
2-hydroxy-5-methyl-N-phenylmethoxyhexanamide
CID 174417075
benzyl N-[3-methyl-1-[methyl(prop-2-enoxy)phosphoryl]butyl]carbamate
CID 10020078
2-bromo-3-methyl-N-phenylmethoxybutanamide
CID 64974144
2-amino-3-methyl-N-phenylmethoxypentanamide
CID 64974779

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide?
The IUPAC name of (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide (CID 18666515) is (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide.
What is the SMILES notation for (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide?
The canonical SMILES for (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide is CC(C)C[C@H](C(=O)NOCc1ccccc1)N(Cc1ccccc1)P(C)(=O)c1ccccc1.
What is the InChIKey of (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide?
The InChIKey is VRFNUGKYAOEODC-UOQVMRJOSA-N. The full InChI is InChI=1S/C27H33N2O3P/c1-22(2)19-26(27(30)28-32-21-24-15-9-5-10-16-24)29(20-23-13-7-4-8-14-23)33(3,31)25-17-11-6-12-18-25/h4-18,22,26H,19-21H2,1-3H3,(H,28,30)/t26-,33?/m1/s1.
What are the key properties of (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide?
(2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide has a molecular weight of 464.55 g/mol, XLogP of 5.38, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[benzyl-[methyl(phenyl)phosphoryl]amino]-4-methyl-N-phenylmethoxypentanamide is sourced from PubChem (CID 18666515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).