benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate

C19H21NO4 — CID 101184256

IUPACbenzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate
SMILESC[C@H](C(=O)c1ccccc1)[C@H](O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-14(18(22)16-10-6-3-7-11-16)17(21)12-20-19(23)24-13-15-8-4-2-5-9-15/h2-11,14,17,21H,12-13H2,1H3,(H,20,23)/t14-,17+/m0/s1
InChIKeyHNWHDZMJPYWEKZ-WMLDXEAASA-N
MW327.38 g/mol
LogP2.79
Rot. Bonds7

About benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate

benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate (PubChem CID 101184256) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate
PubChem CID101184256
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Namebenzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate
SMILESC[C@H](C(=O)c1ccccc1)[C@H](O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO4/c1-14(18(22)16-10-6-3-7-11-16)17(21)12-20-19(23)24-13-15-8-4-2-5-9-15/h2-11,14,17,21H,12-13H2,1H3,(H,20,23)/t14-,17+/m0/s1
InChIKeyHNWHDZMJPYWEKZ-WMLDXEAASA-N
XLogP2.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate 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

benzyl N-(2-methyl-3-oxo-3-phenylpropyl)carbamate
CID 10236470
3-hydroxy-2-methyl-1-phenyl-4-phenylmethoxybutan-1-one
CID 13378871
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
benzyl N-[(1R)-1-hydroxy-2-oxo-2-phenylethyl]carbamate
CID 27308455
benzyl N-[(2R,3S)-2,3-dihydroxypent-4-enyl]carbamate
CID 14701263
benzyl N-[3,4-dihydroxy-4-[4-(2-methylpropanoyl)phenyl]butyl]carbamate
CID 171889018
benzyl N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856317
benzyl N-[2,3-dihydroxy-3-[4-(methylamino)phenyl]propyl]carbamate
CID 171855663
benzyl N-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]carbamate;hydrochloride
CID 69358558
benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate?
The IUPAC name of benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate (CID 101184256) is benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate?
The canonical SMILES for benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate is C[C@H](C(=O)c1ccccc1)[C@H](O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate?
The InChIKey is HNWHDZMJPYWEKZ-WMLDXEAASA-N. The full InChI is InChI=1S/C19H21NO4/c1-14(18(22)16-10-6-3-7-11-16)17(21)12-20-19(23)24-13-15-8-4-2-5-9-15/h2-11,14,17,21H,12-13H2,1H3,(H,20,23)/t14-,17+/m0/s1.
What are the key properties of benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate?
benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3S)-2-hydroxy-3-methyl-4-oxo-4-phenylbutyl]carbamate is sourced from PubChem (CID 101184256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).