methyl N-(4-methylanilino)carbamate

C9H12N2O2 — CID 12669539

IUPACmethyl N-(4-methylanilino)carbamate
SMILESCOC(=O)NNc1ccc(C)cc1
InChIInChI=1S/C9H12N2O2/c1-7-3-5-8(6-4-7)10-11-9(12)13-2/h3-6,10H,1-2H3,(H,11,12)
InChIKeyVPAZSGRMJQPOGT-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.68
Rot. Bonds2

About methyl N-(4-methylanilino)carbamate

methyl N-(4-methylanilino)carbamate (PubChem CID 12669539) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is methyl N-(4-methylanilino)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methylanilino)carbamate
PubChem CID12669539
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namemethyl N-(4-methylanilino)carbamate
SMILESCOC(=O)NNc1ccc(C)cc1
InChIInChI=1S/C9H12N2O2/c1-7-3-5-8(6-4-7)10-11-9(12)13-2/h3-6,10H,1-2H3,(H,11,12)
InChIKeyVPAZSGRMJQPOGT-UHFFFAOYSA-N
XLogP1.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N-(4-methylanilino)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

(4-Methylphenyl)hydrazine
CID 10875
4-Methylphenylhydrazine monohydrochloride
CID 12504
Ethyl 2-phenylhydrazinecarboxylate
CID 269262
1-p-Tolylsemicarbazide
CID 99498
N'-phenyl(tert-butoxy)carbohydrazide
CID 3729801
Ethyl [2-(4-methylphenyl)hydrazinyl](oxo)acetate
CID 1920722
1-(m-Tolyl)semicarbazide
CID 239633
Carbazic acid, 3-phenyl-, isopropyl ester
CID 38692
5-(4-aminophenyl)-2,3-dihydro-1H-pyrazol-3-one
CID 11600758
4-Ethylphenylhydrazine hydrochloride
CID 2760970
(4-Ethylphenyl)hydrazine
CID 578421
Dipropan-2-yl 3-(4-methylphenyl)triazane-1,2-dicarboxylate
CID 342007

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methylanilino)carbamate?
The IUPAC name of methyl N-(4-methylanilino)carbamate (CID 12669539) is methyl N-(4-methylanilino)carbamate.
What is the SMILES notation for methyl N-(4-methylanilino)carbamate?
The canonical SMILES for methyl N-(4-methylanilino)carbamate is COC(=O)NNc1ccc(C)cc1.
What is the InChIKey of methyl N-(4-methylanilino)carbamate?
The InChIKey is VPAZSGRMJQPOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7-3-5-8(6-4-7)10-11-9(12)13-2/h3-6,10H,1-2H3,(H,11,12).
What are the key properties of methyl N-(4-methylanilino)carbamate?
methyl N-(4-methylanilino)carbamate has a molecular weight of 180.21 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methylanilino)carbamate is sourced from PubChem (CID 12669539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).