benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate

C17H19NO3 — CID 125117230

IUPACbenzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
SMILESO=C(NCC[C@@H](O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c19-16(15-9-5-2-6-10-15)11-12-18-17(20)21-13-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1
InChIKeySBXWWLKCTKHLKV-MRXNPFEDSA-N
MW285.34 g/mol
LogP3.04
Rot. Bonds6

About benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate

benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate (PubChem CID 125117230) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
PubChem CID125117230
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namebenzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
SMILESO=C(NCC[C@@H](O)c1ccccc1)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c19-16(15-9-5-2-6-10-15)11-12-18-17(20)21-13-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1
InChIKeySBXWWLKCTKHLKV-MRXNPFEDSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
benzyl N-[(3S)-3-hydroxypent-4-enyl]carbamate
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benzyl N-[2-(benzhydrylamino)ethyl]carbamate
CID 139788577
benzyl N-[(2R)-3-amino-7-hydroxy-2-methyl-7-phenylheptyl]carbamate
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CID 153495639
benzyl 2-amino-3-hydroxy-5-(phenylmethoxycarbonylamino)pentanoate;hydrochloride
CID 14037134
benzyl N-[(3R,4S)-3,4,6-trihydroxy-5-oxohexyl]carbamate
CID 15953376
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl N-[3,4-dihydroxy-4-(5-hydroxypyrimidin-2-yl)butyl]carbamate
CID 171887887

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate?
The IUPAC name of benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate (CID 125117230) is benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate.
What is the SMILES notation for benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate?
The canonical SMILES for benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate is O=C(NCC[C@@H](O)c1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate?
The InChIKey is SBXWWLKCTKHLKV-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO3/c19-16(15-9-5-2-6-10-15)11-12-18-17(20)21-13-14-7-3-1-4-8-14/h1-10,16,19H,11-13H2,(H,18,20)/t16-/m1/s1.
What are the key properties of benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate?
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate is sourced from PubChem (CID 125117230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).