(2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide

C19H22N2O4 — CID 70863313

IUPAC(2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide
SMILESC[C@H](NC(O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(21-19(24)25-13-15-8-4-2-5-9-15)18(23)20-12-17(22)16-10-6-3-7-11-16/h2-11,14,19,21,24H,12-13H2,1H3,(H,20,23)/t14-,19?/m0/s1
InChIKeySYFMNYPROUZWGQ-KTQQKIMGSA-N
MW342.39 g/mol
LogP1.46
Rot. Bonds9

About (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide

(2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide (PubChem CID 70863313) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide.

Molecular Properties

Compound Name(2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide
PubChem CID70863313
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name(2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide
SMILESC[C@H](NC(O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O4/c1-14(21-19(24)25-13-15-8-4-2-5-9-15)18(23)20-12-17(22)16-10-6-3-7-11-16/h2-11,14,19,21,24H,12-13H2,1H3,(H,20,23)/t14-,19?/m0/s1
InChIKeySYFMNYPROUZWGQ-KTQQKIMGSA-N
XLogP1.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S,5S)-5-hydroxy-1-phenyl-3,4-bis(phenylmethoxy)hexan-1-one
CID 10024186
(2S)-2-amino-N-phenacyl-3-phenylpropanamide
CID 54565286
N-phenacyl-2-propan-2-yloxyacetamide
CID 112602781
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
2-hydroxy-3-(2-phenylmethoxypropanoylamino)propanoic acid
CID 66166214
methyl 2-[[2-(phenacylamino)-3-phenylpropanoyl]amino]acetate
CID 58817588
1-phenylmethoxyethyl benzoate
CID 147024135
methyl (2R,3S,4R)-4-hydroxy-3-methyl-2-phenylmethoxypentanoate
CID 11791672
N-(2-anilino-2-oxoethyl)-2-(phenylmethoxyamino)propanamide
CID 78066485
benzyl 2-[[(2R)-2-(2,2-dimethylpropanoylamino)propanoyl]amino]acetate
CID 30396801
benzyl N-[(2S)-1-[(3-chloro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 118798323
1-phenyl-2-(1-phenylpropan-2-ylamino)ethanone;hydrochloride
CID 12910708

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide?
The IUPAC name of (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide (CID 70863313) is (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide.
What is the SMILES notation for (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide?
The canonical SMILES for (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide is C[C@H](NC(O)OCc1ccccc1)C(=O)NCC(=O)c1ccccc1.
What is the InChIKey of (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide?
The InChIKey is SYFMNYPROUZWGQ-KTQQKIMGSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14(21-19(24)25-13-15-8-4-2-5-9-15)18(23)20-12-17(22)16-10-6-3-7-11-16/h2-11,14,19,21,24H,12-13H2,1H3,(H,20,23)/t14-,19?/m0/s1.
What are the key properties of (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide?
(2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide has a molecular weight of 342.39 g/mol, XLogP of 1.46, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[hydroxy(phenylmethoxy)methyl]amino]-N-phenacylpropanamide is sourced from PubChem (CID 70863313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).