butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate

C14H21NO3 — CID 151882072

IUPACbutyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
SMILESCCCCOC(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-3-9-18-14(17)15-13(11-16)10-12-7-5-4-6-8-12/h4-8,13,16H,2-3,9-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeySOXYYCOFQLRLLK-CYBMUJFWSA-N
MW251.33 g/mol
LogP2.12
Rot. Bonds7

About butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate

butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate (PubChem CID 151882072) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
PubChem CID151882072
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namebutyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate
SMILESCCCCOC(=O)N[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C14H21NO3/c1-2-3-9-18-14(17)15-13(11-16)10-12-7-5-4-6-8-12/h4-8,13,16H,2-3,9-11H2,1H3,(H,15,17)/t13-/m1/s1
InChIKeySOXYYCOFQLRLLK-CYBMUJFWSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-[(2R)-1-hydroxy-3-phenylpropan-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

benzyl (3R)-3-(butoxycarbonylamino)-4-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-4-oxobutanoate
CID 54211161
benzyl N-[(2S)-1-(4-ethoxyphenyl)-3-hydroxypropan-2-yl]carbamate
CID 15222817
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]octanamide
CID 102673841
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]heptanamide
CID 42364081
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]hexadecanamide
CID 15667273
benzyl (3S)-3-(butoxycarbonylamino)-4-methoxybutanoate
CID 151158685
2-(2-aminoethoxy)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 107863070
butyl N-(1-phenylethyl)carbamate
CID 571821
nonyl 3-phenyl-2-(propoxycarbonylamino)propanoate
CID 6423362
butyl N-[(2S)-1-[methoxy(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 54291526
butyl N-[(2R)-1-hydroxy-3-methoxypropan-2-yl]carbamate
CID 88937334
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133

Frequently Asked Questions

What is the IUPAC name of butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
The IUPAC name of butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate (CID 151882072) is butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate is CCCCOC(=O)N[C@@H](CO)Cc1ccccc1.
What is the InChIKey of butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
The InChIKey is SOXYYCOFQLRLLK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO3/c1-2-3-9-18-14(17)15-13(11-16)10-12-7-5-4-6-8-12/h4-8,13,16H,2-3,9-11H2,1H3,(H,15,17)/t13-/m1/s1.
What are the key properties of butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate?
butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 151882072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).