benzyl N-methyl-N-(4-nitrophenyl)carbamate

C15H14N2O4 — CID 102148526

IUPACbenzyl N-methyl-N-(4-nitrophenyl)carbamate
SMILESCN(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4/c1-16(13-7-9-14(10-8-13)17(19)20)15(18)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyIHVJGLGEGBBVQR-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.37
Rot. Bonds4

About benzyl N-methyl-N-(4-nitrophenyl)carbamate

benzyl N-methyl-N-(4-nitrophenyl)carbamate (PubChem CID 102148526) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is benzyl N-methyl-N-(4-nitrophenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-(4-nitrophenyl)carbamate
PubChem CID102148526
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Namebenzyl N-methyl-N-(4-nitrophenyl)carbamate
SMILESCN(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H14N2O4/c1-16(13-7-9-14(10-8-13)17(19)20)15(18)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyIHVJGLGEGBBVQR-UHFFFAOYSA-N
XLogP3.37
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) 2-[methyl(phenylmethoxycarbonyl)amino]acetate
CID 21283416
2,2,2-trifluoroethyl N-methyl-N-(4-nitrophenyl)carbamate
CID 39871530
(4-nitrophenyl)methyl N-(2-chloro-2-oxoethyl)-N-phenylcarbamate
CID 20525023
benzyl N-(3-methylpiperidin-3-yl)-N-(4-nitrophenyl)carbamate
CID 71227267
(2S)-6-amino-2-(4-nitro-N-phenylmethoxycarbonylanilino)hexanoic acid
CID 21363112
4-benzyl-N-methyl-N-(4-nitrophenyl)pyridin-1-ium-1-carboxamide
CID 10927096
2-[carboxylatomethyl-[(4-nitrophenyl)methoxycarbonyl]amino]acetate
CID 7242960
benzyl N,N-dimethylcarbamate
CID 12963450
N-methyl-4-nitro-N-phenylaniline
CID 11287619
benzyl N-(4-nitroanilino)carbamate
CID 101274161
CID 156800719
CID 156800719
bis[(4-nitrophenyl)methyl] benzene-1,2-dicarboxylate
CID 88636598

Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-(4-nitrophenyl)carbamate?
The IUPAC name of benzyl N-methyl-N-(4-nitrophenyl)carbamate (CID 102148526) is benzyl N-methyl-N-(4-nitrophenyl)carbamate.
What is the SMILES notation for benzyl N-methyl-N-(4-nitrophenyl)carbamate?
The canonical SMILES for benzyl N-methyl-N-(4-nitrophenyl)carbamate is CN(C(=O)OCc1ccccc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of benzyl N-methyl-N-(4-nitrophenyl)carbamate?
The InChIKey is IHVJGLGEGBBVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-16(13-7-9-14(10-8-13)17(19)20)15(18)21-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of benzyl N-methyl-N-(4-nitrophenyl)carbamate?
benzyl N-methyl-N-(4-nitrophenyl)carbamate has a molecular weight of 286.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-(4-nitrophenyl)carbamate is sourced from PubChem (CID 102148526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).