benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate

C17H19NO2 — CID 130156986

IUPACbenzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
SMILESCc1cccc(CN(C)C(=O)OCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-14-7-6-10-16(11-14)12-18(2)17(19)20-13-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3
InChIKeyDNVQOKNKTBGMLF-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.76
Rot. Bonds4

About benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate

benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate (PubChem CID 130156986) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
PubChem CID130156986
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namebenzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
SMILESCc1cccc(CN(C)C(=O)OCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-14-7-6-10-16(11-14)12-18(2)17(19)20-13-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3
InChIKeyDNVQOKNKTBGMLF-UHFFFAOYSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-methyl-N-[(3-methylphenyl)methyl]carbamate
CID 60755647
3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62230250
benzyl N-methyl-N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 118284724
[methyl(phenylmethoxycarbonyl)amino] 3-methylbenzoate
CID 174511037
ethyl 2-[[3-[[methyl(phenylmethoxycarbonyl)amino]methyl]phenyl]carbamoylamino]acetate
CID 67455942
(E)-4-[methyl-[(3-methylphenyl)methyl]amino]-4-oxobut-2-enoic acid
CID 54875189
3-amino-1-methyl-1-[(3-methylphenyl)methyl]urea
CID 61411496
benzyl N,N-dimethylcarbamate
CID 12963450
benzyl N-(2,2-dimethylpropyl)-N-methylcarbamate
CID 110669345
benzyl(phenylmethoxycarbonyl)carbamic acid;N,N-dimethylmethanamine
CID 175696861
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
benzyl 3-(3-methylphenyl)-2-oxopropanoate
CID 18370861

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate (CID 130156986) is benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate is Cc1cccc(CN(C)C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate?
The InChIKey is DNVQOKNKTBGMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-14-7-6-10-16(11-14)12-18(2)17(19)20-13-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3.
What are the key properties of benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate?
benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[(3-methylphenyl)methyl]carbamate is sourced from PubChem (CID 130156986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).