[1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate

C18H21NO3 — CID 123699873

IUPAC[1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate
SMILESCc1ccccc1C(O)C(C)OC(=O)NCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-13-8-6-7-11-16(13)17(20)14(2)22-18(21)19-12-15-9-4-3-5-10-15/h3-11,14,17,20H,12H2,1-2H3,(H,19,21)
InChIKeyANRJVFHTCLRCQJ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.34
Rot. Bonds5

About [1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate

[1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate (PubChem CID 123699873) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is [1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate
PubChem CID123699873
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name[1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate
SMILESCc1ccccc1C(O)C(C)OC(=O)NCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-13-8-6-7-11-16(13)17(20)14(2)22-18(21)19-12-15-9-4-3-5-10-15/h3-11,14,17,20H,12H2,1-2H3,(H,19,21)
InChIKeyANRJVFHTCLRCQJ-UHFFFAOYSA-N
XLogP3.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-methoxy-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
CID 123940919
[(2R)-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
CID 144705783
but-3-en-2-yl N-benzylcarbamate
CID 130012657
(4-bromo-3-oxobutan-2-yl) N-benzylcarbamate
CID 123160195
benzene;ethyl N-benzylcarbamate
CID 67715166
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
3-hydroxybutyl N-benzylcarbamate
CID 142744474
[1-(2-aminoethylamino)-1-oxopropan-2-yl] N-benzylcarbamate
CID 162689535
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
CID 123214058
[(2R)-1-amino-1-oxobutan-2-yl] N-benzylcarbamate
CID 175581650
1-benzyl-3-(2-hydroxypropyl)urea
CID 103604143
(4-methylphenyl) N-benzylcarbamate
CID 14292552

Frequently Asked Questions

What is the IUPAC name of [1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate?
The IUPAC name of [1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate (CID 123699873) is [1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate.
What is the SMILES notation for [1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate?
The canonical SMILES for [1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate is Cc1ccccc1C(O)C(C)OC(=O)NCc1ccccc1.
What is the InChIKey of [1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate?
The InChIKey is ANRJVFHTCLRCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-8-6-7-11-16(13)17(20)14(2)22-18(21)19-12-15-9-4-3-5-10-15/h3-11,14,17,20H,12H2,1-2H3,(H,19,21).
What are the key properties of [1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate?
[1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate has a molecular weight of 299.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate is sourced from PubChem (CID 123699873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).