(4-methylphenyl) N-benzylcarbamate

C15H15NO2 — CID 14292552

IUPAC(4-methylphenyl) N-benzylcarbamate
SMILESCc1ccc(OC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c1-12-7-9-14(10-8-12)18-15(17)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyBAGCTHBBCFNUHG-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.28
Rot. Bonds3

About (4-methylphenyl) N-benzylcarbamate

(4-methylphenyl) N-benzylcarbamate (PubChem CID 14292552) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (4-methylphenyl) N-benzylcarbamate.

Molecular Properties

Compound Name(4-methylphenyl) N-benzylcarbamate
PubChem CID14292552
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(4-methylphenyl) N-benzylcarbamate
SMILESCc1ccc(OC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c1-12-7-9-14(10-8-12)18-15(17)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKeyBAGCTHBBCFNUHG-UHFFFAOYSA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-phenylphenyl) N-benzylcarbamate
CID 25174478
[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 21130773
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
(4-fluorophenyl) N-[(4-phenylphenyl)methyl]carbamate
CID 68577471
(4-methylphenyl) 5-(benzylamino)-5-oxopentanoate
CID 134872347
(4-methylphenyl) N-[[4-(diaminomethylideneamino)phenyl]methyl]carbamate
CID 58849415
phenyl N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]carbamate
CID 108738413
benzene;ethyl N-benzylcarbamate
CID 67715166
[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 68564151
phenyl N-[2-(benzylamino)ethyl]carbamate
CID 59371189
N-benzylacetamide;toluene
CID 175498463
benzyl (4-methylphenyl) carbonate
CID 118690287

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N-benzylcarbamate?
The IUPAC name of (4-methylphenyl) N-benzylcarbamate (CID 14292552) is (4-methylphenyl) N-benzylcarbamate.
What is the SMILES notation for (4-methylphenyl) N-benzylcarbamate?
The canonical SMILES for (4-methylphenyl) N-benzylcarbamate is Cc1ccc(OC(=O)NCc2ccccc2)cc1.
What is the InChIKey of (4-methylphenyl) N-benzylcarbamate?
The InChIKey is BAGCTHBBCFNUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-12-7-9-14(10-8-12)18-15(17)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17).
What are the key properties of (4-methylphenyl) N-benzylcarbamate?
(4-methylphenyl) N-benzylcarbamate has a molecular weight of 241.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N-benzylcarbamate is sourced from PubChem (CID 14292552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).