2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate

C12H17NO3 — CID 81357175

IUPAC2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
SMILESCc1ccc([C@@H](C)NC(=O)OCCO)cc1
InChIInChI=1S/C12H17NO3/c1-9-3-5-11(6-4-9)10(2)13-12(15)16-8-7-14/h3-6,10,14H,7-8H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyPGGZQVZPWYMOJT-SNVBAGLBSA-N
MW223.27 g/mol
LogP1.77
Rot. Bonds4

About 2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate

2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate (PubChem CID 81357175) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
PubChem CID81357175
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
SMILESCc1ccc([C@@H](C)NC(=O)OCCO)cc1
InChIInChI=1S/C12H17NO3/c1-9-3-5-11(6-4-9)10(2)13-12(15)16-8-7-14/h3-6,10,14H,7-8H2,1-2H3,(H,13,15)/t10-/m1/s1
InChIKeyPGGZQVZPWYMOJT-SNVBAGLBSA-N
XLogP1.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
CID 81355345
2-hydroxyethyl N-[1-(4-methylsulfanylphenyl)ethyl]carbamate
CID 79346209
2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
CID 81361011
2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 79346636
2,3-dihydroxy-N-[1-(4-methylphenyl)ethyl]propanamide
CID 141298462
2-hydroxyethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 79345496
5-hydroxy-N-[(1R)-1-(4-methylphenyl)ethyl]pentanamide
CID 81356317
5-hydroxy-N-[(1S)-1-(4-methylphenyl)ethyl]pentanamide
CID 81355860
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
N'-[1-(4-methylphenyl)ethyl]oxamide
CID 69272528
3-amino-2-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]propanamide
CID 81356180

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate (CID 81357175) is 2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate is Cc1ccc([C@@H](C)NC(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate?
The InChIKey is PGGZQVZPWYMOJT-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-3-5-11(6-4-9)10(2)13-12(15)16-8-7-14/h3-6,10,14H,7-8H2,1-2H3,(H,13,15)/t10-/m1/s1.
What are the key properties of 2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate?
2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 81357175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).