methyl N-amino-N-benzoylcarbamate

C9H10N2O3 — CID 69339963

IUPACmethyl N-amino-N-benzoylcarbamate
SMILESCOC(=O)N(N)C(=O)c1ccccc1
InChIInChI=1S/C9H10N2O3/c1-14-9(13)11(10)8(12)7-5-3-2-4-6-7/h2-6H,10H2,1H3
InChIKeyNHLCZDWHMHGECD-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.77
Rot. Bonds1

About methyl N-amino-N-benzoylcarbamate

methyl N-amino-N-benzoylcarbamate (PubChem CID 69339963) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl N-amino-N-benzoylcarbamate.

Molecular Properties

Compound Namemethyl N-amino-N-benzoylcarbamate
PubChem CID69339963
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Namemethyl N-amino-N-benzoylcarbamate
SMILESCOC(=O)N(N)C(=O)c1ccccc1
InChIInChI=1S/C9H10N2O3/c1-14-9(13)11(10)8(12)7-5-3-2-4-6-7/h2-6H,10H2,1H3
InChIKeyNHLCZDWHMHGECD-UHFFFAOYSA-N
XLogP0.77
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl N-amino-N-benzoylcarbamate 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

N-benzoyl-4-methylbenzohydrazide
CID 174274321
methyl N-amino-N-(3-phenyl-1H-pyrrole-2-carbonyl)carbamate
CID 175290455
dimethyl 2-[amino(benzoyl)amino]-2-hydroxypropanedioate
CID 22213779
1-N,4-N-bis(2-phenoxypropanoyl)benzene-1,4-dicarbohydrazide
CID 137456577
1-N-benzoyl-2-N-tert-butyl-2-N'-methoxy-2-N'-(4-methylbenzoyl)ethanedihydrazide
CID 88611106
(111C)methyl N,N-dibenzylcarbamate
CID 10106358
tert-butyl N-benzoyl-N-(chloroamino)carbamate
CID 86607133
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
4-benzoyl-N,N-dimethylbenzamide
CID 12779824
N-(3-methylbutan-2-yl)benzohydrazide
CID 174972153

Frequently Asked Questions

What is the IUPAC name of methyl N-amino-N-benzoylcarbamate?
The IUPAC name of methyl N-amino-N-benzoylcarbamate (CID 69339963) is methyl N-amino-N-benzoylcarbamate.
What is the SMILES notation for methyl N-amino-N-benzoylcarbamate?
The canonical SMILES for methyl N-amino-N-benzoylcarbamate is COC(=O)N(N)C(=O)c1ccccc1.
What is the InChIKey of methyl N-amino-N-benzoylcarbamate?
The InChIKey is NHLCZDWHMHGECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-9(13)11(10)8(12)7-5-3-2-4-6-7/h2-6H,10H2,1H3.
What are the key properties of methyl N-amino-N-benzoylcarbamate?
methyl N-amino-N-benzoylcarbamate has a molecular weight of 194.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-amino-N-benzoylcarbamate is sourced from PubChem (CID 69339963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).