benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate

C17H19NO3 — CID 124679296

IUPACbenzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
SMILESCc1ccccc1[C@H](O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-13-7-5-6-10-15(13)16(19)11-18-17(20)21-12-14-8-3-2-4-9-14/h2-10,16,19H,11-12H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyLLKZKOKQKAFXDN-MRXNPFEDSA-N
MW285.34 g/mol
LogP2.95
Rot. Bonds5

About benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate

benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate (PubChem CID 124679296) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
PubChem CID124679296
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namebenzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
SMILESCc1ccccc1[C@H](O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C17H19NO3/c1-13-7-5-6-10-15(13)16(19)11-18-17(20)21-12-14-8-3-2-4-9-14/h2-10,16,19H,11-12H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyLLKZKOKQKAFXDN-MRXNPFEDSA-N
XLogP2.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide
CID 111120094
benzyl N-[2,3-dihydroxy-3-(4-methyl-3-pyridinyl)propyl]carbamate
CID 171855417
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682
4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-methylbenzoic acid
CID 171856230
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(2-methylpropyl)urea
CID 111119518
benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate
CID 171855851
benzyl N-[2,3-dihydroxy-3-[2-methyl-4-(trifluoromethyl)phenyl]propyl]carbamate
CID 171856434
benzyl (2S)-2-bromo-2-(2-methylphenyl)acetate
CID 101158906
benzyl 2-bromo-2-(2-methylphenyl)acetate
CID 23250619
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate (CID 124679296) is benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate is Cc1ccccc1[C@H](O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate?
The InChIKey is LLKZKOKQKAFXDN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19NO3/c1-13-7-5-6-10-15(13)16(19)11-18-17(20)21-12-14-8-3-2-4-9-14/h2-10,16,19H,11-12H2,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate?
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate has a molecular weight of 285.34 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 124679296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).