2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate

C20H25NO3 — CID 144792682

IUPAC2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
SMILESCC(C)COC(=O)N[C@@H](CO)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-15(2)14-24-20(23)21-19(13-22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19,22H,12-14H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyRCKGNGYOEXWJKC-LJQANCHMSA-N
MW327.42 g/mol
LogP3.64
Rot. Bonds7

About 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate

2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate (PubChem CID 144792682) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
PubChem CID144792682
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
SMILESCC(C)COC(=O)N[C@@H](CO)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H25NO3/c1-15(2)14-24-20(23)21-19(13-22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19,22H,12-14H2,1-2H3,(H,21,23)/t19-/m1/s1
InChIKeyRCKGNGYOEXWJKC-LJQANCHMSA-N
XLogP3.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]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

tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 71511817
2-methylpropyl N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]carbamate
CID 68854928
butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 151882072
2-methylpropyl N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 142588377
benzyl N-[(2S)-1-chloro-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 176637453
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603
benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 15222817
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
(2S)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpent-4-enamide
CID 10857796
butyl (2S)-2-(2-methylpropoxycarbonylamino)-3-phenylpropanoate
CID 20836709
(4S)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(4-phenylphenyl)pentanoic acid
CID 58027482
(2S)-2-amino-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylbutanamide
CID 10988719

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate?
The IUPAC name of 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate (CID 144792682) is 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate?
The canonical SMILES for 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate is CC(C)COC(=O)N[C@@H](CO)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate?
The InChIKey is RCKGNGYOEXWJKC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H25NO3/c1-15(2)14-24-20(23)21-19(13-22)12-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-11,15,19,22H,12-14H2,1-2H3,(H,21,23)/t19-/m1/s1.
What are the key properties of 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate?
2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate has a molecular weight of 327.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate is sourced from PubChem (CID 144792682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).