(2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide

C20H24N2O3 — CID 57147661

IUPAC(2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N[C@@H](C)C(=O)NOCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-18(17-12-8-5-9-13-17)20(24)21-15(2)19(23)22-25-14-16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3,(H,21,24)(H,22,23)/t15-,18+/m0/s1
InChIKeyFOAQXIVYBPMIRK-MAUKXSAKSA-N
MW340.42 g/mol
LogP2.93
Rot. Bonds8

About (2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide

(2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide (PubChem CID 57147661) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide
PubChem CID57147661
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide
SMILESCC[C@@H](C(=O)N[C@@H](C)C(=O)NOCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-18(17-12-8-5-9-13-17)20(24)21-15(2)19(23)22-25-14-16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3,(H,21,24)(H,22,23)/t15-,18+/m0/s1
InChIKeyFOAQXIVYBPMIRK-MAUKXSAKSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-ethoxy-2-phenylbutanamide
CID 94018307
2-amino-3-methyl-N-phenylmethoxypentanamide
CID 64974779
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
2-amino-2-phenyl-N-phenylmethoxyacetamide
CID 64974988
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-phenylbutanoate
CID 46619032
3-methyl-N-phenylmethoxypentanamide
CID 114875336
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
CID 2300118
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
(2S)-2-[[4-oxo-4-(phenylmethoxyamino)-2-propan-2-ylbutanoyl]amino]propanoic acid
CID 57039338
1-(2-hydroxy-1-phenylethyl)-3-phenylmethoxyurea
CID 110933498
(2-phenylbutanoylamino)urea
CID 63946462
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)-N'-phenylmethoxypropanediamide
CID 10717280

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide?
The IUPAC name of (2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide (CID 57147661) is (2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide.
What is the SMILES notation for (2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide?
The canonical SMILES for (2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide is CC[C@@H](C(=O)N[C@@H](C)C(=O)NOCc1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide?
The InChIKey is FOAQXIVYBPMIRK-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-18(17-12-8-5-9-13-17)20(24)21-15(2)19(23)22-25-14-16-10-6-4-7-11-16/h4-13,15,18H,3,14H2,1-2H3,(H,21,24)(H,22,23)/t15-,18+/m0/s1.
What are the key properties of (2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide?
(2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide has a molecular weight of 340.42 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-1-oxo-1-(phenylmethoxyamino)propan-2-yl]-2-phenylbutanamide is sourced from PubChem (CID 57147661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).