(2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide

C18H20N2O4 — CID 54447609

IUPAC(2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide
SMILESO=C(Cc1ccccc1)NC(=O)[C@H](CO)NOCc1ccccc1
InChIInChI=1S/C18H20N2O4/c21-12-16(20-24-13-15-9-5-2-6-10-15)18(23)19-17(22)11-14-7-3-1-4-8-14/h1-10,16,20-21H,11-13H2,(H,19,22,23)/t16-/m0/s1
InChIKeyWSQLUWLMVLSEEP-INIZCTEOSA-N
MW328.37 g/mol
LogP0.95
Rot. Bonds8

About (2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide

(2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide (PubChem CID 54447609) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide
PubChem CID54447609
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide
SMILESO=C(Cc1ccccc1)NC(=O)[C@H](CO)NOCc1ccccc1
InChIInChI=1S/C18H20N2O4/c21-12-16(20-24-13-15-9-5-2-6-10-15)18(23)19-17(22)11-14-7-3-1-4-8-14/h1-10,16,20-21H,11-13H2,(H,19,22,23)/t16-/m0/s1
InChIKeyWSQLUWLMVLSEEP-INIZCTEOSA-N
XLogP0.95
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trihydroxy-N-phenylmethoxybutanamide
CID 130149986
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
prop-2-enyl 3-phenyl-2-(phenylmethoxyamino)propanoate
CID 87946650
N-phenyl-2-(phenylmethoxyamino)propanamide
CID 60682905
(2S)-3-phenyl-2-[[(2S)-2-(phenylmethoxyamino)propanoyl]amino]propanoic acid
CID 142703988
benzyl 3-hydroxy-2-(3-hydroxybutanoylamino)propanoate
CID 143560110
(3R)-3-hydroxy-N-phenylmethoxybutanamide
CID 11106604
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
benzyl N-[1-[(2-aminoacetyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 22215001
(2R)-2-amino-N-phenylmethoxypropanamide
CID 54406296
3-hydroxy-3-methyl-2-(phenylmethoxyamino)butanoic acid
CID 175063252
benzyl 3-(phenylmethoxyamino)butanoate
CID 13184090

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide?
The IUPAC name of (2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide (CID 54447609) is (2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide.
What is the SMILES notation for (2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide?
The canonical SMILES for (2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide is O=C(Cc1ccccc1)NC(=O)[C@H](CO)NOCc1ccccc1.
What is the InChIKey of (2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide?
The InChIKey is WSQLUWLMVLSEEP-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-12-16(20-24-13-15-9-5-2-6-10-15)18(23)19-17(22)11-14-7-3-1-4-8-14/h1-10,16,20-21H,11-13H2,(H,19,22,23)/t16-/m0/s1.
What are the key properties of (2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide?
(2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide has a molecular weight of 328.37 g/mol, XLogP of 0.95, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-N-(2-phenylacetyl)-2-(phenylmethoxyamino)propanamide is sourced from PubChem (CID 54447609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).