phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate

C16H17NO2 — CID 81360922

IUPACphenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate
SMILESCc1cccc([C@@H](C)NC(=O)Oc2ccccc2)c1
InChIInChI=1S/C16H17NO2/c1-12-7-6-8-14(11-12)13(2)17-16(18)19-15-9-4-3-5-10-15/h3-11,13H,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyHJMARMNXRNACGI-CYBMUJFWSA-N
MW255.32 g/mol
LogP3.84
Rot. Bonds3

About phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate

phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate (PubChem CID 81360922) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate
PubChem CID81360922
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namephenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate
SMILESCc1cccc([C@@H](C)NC(=O)Oc2ccccc2)c1
InChIInChI=1S/C16H17NO2/c1-12-7-6-8-14(11-12)13(2)17-16(18)19-15-9-4-3-5-10-15/h3-11,13H,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyHJMARMNXRNACGI-CYBMUJFWSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl N-[1-(3,4-dichlorophenyl)ethyl]carbamate
CID 60629562
phenyl (2R)-2-(3-methylphenyl)propanoate
CID 141470933
2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
CID 81361011
phenyl N-[(1S)-1-pyridin-4-ylethyl]carbamate
CID 81409571
phenyl N-[1-(2-methoxy-5-methylphenyl)ethyl]carbamate
CID 60666505
2-[[(1R)-1-(3-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 81369000
2-(3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 879297
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
4-[[(1R)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 81363109
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
phenyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 102094307

Frequently Asked Questions

What is the IUPAC name of phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate?
The IUPAC name of phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate (CID 81360922) is phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate?
The canonical SMILES for phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate is Cc1cccc([C@@H](C)NC(=O)Oc2ccccc2)c1.
What is the InChIKey of phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate?
The InChIKey is HJMARMNXRNACGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-7-6-8-14(11-12)13(2)17-16(18)19-15-9-4-3-5-10-15/h3-11,13H,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate?
phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate has a molecular weight of 255.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 81360922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).