(propan-2-ylideneamino) N-phenylcarbamate

C10H12N2O2 — CID 17808

IUPAC(propan-2-ylideneamino) N-phenylcarbamate
SMILESCC(C)=NOC(=O)Nc1ccccc1
InChIInChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13)
InChIKeyLATYTXGNKNKTDS-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.63
Rot. Bonds2

About (propan-2-ylideneamino) N-phenylcarbamate

(propan-2-ylideneamino) N-phenylcarbamate (PubChem CID 17808) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (propan-2-ylideneamino) N-phenylcarbamate.

Molecular Properties

Compound Name(propan-2-ylideneamino) N-phenylcarbamate
PubChem CID17808
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(propan-2-ylideneamino) N-phenylcarbamate
SMILESCC(C)=NOC(=O)Nc1ccccc1
InChIInChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13)
InChIKeyLATYTXGNKNKTDS-UHFFFAOYSA-N
XLogP2.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (propan-2-ylideneamino) N-phenylcarbamate 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

Propham
CID 24685
Ethyl N-phenylcarbamate
CID 7591
Acetamide, 2-(hydroxyimino)-N-phenyl-
CID 6861488
1-Hydroxy-3-phenylurea
CID 81786
Methyl phenylcarbamate
CID 17451
Phenylcarbamic acid
CID 10392
Butyl carbanilate
CID 15233
Sec-butyl carbanilate
CID 259745
O-(N-(4-Chlorophenyl)carbamoyl)acetone oxime
CID 220145
N-(4-methylphenyl)carbamic acid (cyclopentylideneamino) ester
CID 819097
N-((Aminooxy)Carbonyl)Aniline
CID 448926
N1-phenyl-2-hydroxyiminopropanamide
CID 9583273

Frequently Asked Questions

What is the IUPAC name of (propan-2-ylideneamino) N-phenylcarbamate?
The IUPAC name of (propan-2-ylideneamino) N-phenylcarbamate (CID 17808) is (propan-2-ylideneamino) N-phenylcarbamate.
What is the SMILES notation for (propan-2-ylideneamino) N-phenylcarbamate?
The canonical SMILES for (propan-2-ylideneamino) N-phenylcarbamate is CC(C)=NOC(=O)Nc1ccccc1.
What is the InChIKey of (propan-2-ylideneamino) N-phenylcarbamate?
The InChIKey is LATYTXGNKNKTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13).
What are the key properties of (propan-2-ylideneamino) N-phenylcarbamate?
(propan-2-ylideneamino) N-phenylcarbamate has a molecular weight of 192.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (propan-2-ylideneamino) N-phenylcarbamate is sourced from PubChem (CID 17808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).