(N-methylanilino) carbamate

C8H10N2O2 — CID 175107700

IUPAC(N-methylanilino) carbamate
SMILESCN(OC(N)=O)c1ccccc1
InChIInChI=1S/C8H10N2O2/c1-10(12-8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKeyZBUZVNNHAYATQP-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.13
Rot. Bonds2

About (N-methylanilino) carbamate

(N-methylanilino) carbamate (PubChem CID 175107700) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (N-methylanilino) carbamate.

Molecular Properties

Compound Name(N-methylanilino) carbamate
PubChem CID175107700
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(N-methylanilino) carbamate
SMILESCN(OC(N)=O)c1ccccc1
InChIInChI=1S/C8H10N2O2/c1-10(12-8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11)
InChIKeyZBUZVNNHAYATQP-UHFFFAOYSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

copper;(N-methylanilino) acetate
CID 88782119
(N-methylanilino) propanoate
CID 143653694
(2S)-3-methyl-2-(N-methylanilino)oxycarbonylbutanoic acid
CID 54560806
N-methyl-N-(1,2,2-trifluoroethenoxy)aniline
CID 87396734
1-methyl-1-(N-methylanilino)urea
CID 154254582
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333
1-methoxy-1-phenylurea
CID 15620442
1,1-diphenylurea
CID 174849888
methyl acetate;1-methyl-1-phenylhydrazine
CID 90706381
benzoic acid;N-methyl-N-phenylaniline
CID 158055475
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205

Frequently Asked Questions

What is the IUPAC name of (N-methylanilino) carbamate?
The IUPAC name of (N-methylanilino) carbamate (CID 175107700) is (N-methylanilino) carbamate.
What is the SMILES notation for (N-methylanilino) carbamate?
The canonical SMILES for (N-methylanilino) carbamate is CN(OC(N)=O)c1ccccc1.
What is the InChIKey of (N-methylanilino) carbamate?
The InChIKey is ZBUZVNNHAYATQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-10(12-8(9)11)7-5-3-2-4-6-7/h2-6H,1H3,(H2,9,11).
What are the key properties of (N-methylanilino) carbamate?
(N-methylanilino) carbamate has a molecular weight of 166.18 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-methylanilino) carbamate is sourced from PubChem (CID 175107700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).