1-anilino-3-methylurea;ethane

C10H17N3O — CID 143768639

IUPAC1-anilino-3-methylurea;ethane
SMILESCC.CNC(=O)NNc1ccccc1
InChIInChI=1S/C8H11N3O.C2H6/c1-9-8(12)11-10-7-5-3-2-4-6-7;1-2/h2-6,10H,1H3,(H2,9,11,12);1-2H3
InChIKeyHQGCFYZUCYSCNV-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.97
Rot. Bonds2

About 1-anilino-3-methylurea;ethane

1-anilino-3-methylurea;ethane (PubChem CID 143768639) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-anilino-3-methylurea;ethane.

Molecular Properties

Compound Name1-anilino-3-methylurea;ethane
PubChem CID143768639
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-anilino-3-methylurea;ethane
SMILESCC.CNC(=O)NNc1ccccc1
InChIInChI=1S/C8H11N3O.C2H6/c1-9-8(12)11-10-7-5-3-2-4-6-7;1-2/h2-6,10H,1H3,(H2,9,11,12);1-2H3
InChIKeyHQGCFYZUCYSCNV-UHFFFAOYSA-N
XLogP1.97
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-anilino-3-methylurea;ethane 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

1-anilino-3-hydroxyurea
CID 2763972
1-anilino-3-tert-butylurea
CID 12537941
1-anilino-3-ethylurea
CID 67472651
1-(3-bromoanilino)-3-methylurea
CID 131019959
1,3-bis(2-phenylhydrazinyl)urea
CID 151828503
1-N',3-N'-diphenylpropanedihydrazide
CID 12863716
N-anilinocarbamoyl chloride
CID 57449233
1-methyl-3-phenylurea;propane
CID 142949663
ethyl N-(anilinocarbamoyl)carbamate
CID 11020506
1-anilino-3-(4-chlorophenyl)urea
CID 4167003
1-anilino-3-(2-oxoethyl)urea
CID 54004429
bis(1,3-dimethylurea);toluene
CID 137356075

Frequently Asked Questions

What is the IUPAC name of 1-anilino-3-methylurea;ethane?
The IUPAC name of 1-anilino-3-methylurea;ethane (CID 143768639) is 1-anilino-3-methylurea;ethane.
What is the SMILES notation for 1-anilino-3-methylurea;ethane?
The canonical SMILES for 1-anilino-3-methylurea;ethane is CC.CNC(=O)NNc1ccccc1.
What is the InChIKey of 1-anilino-3-methylurea;ethane?
The InChIKey is HQGCFYZUCYSCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.C2H6/c1-9-8(12)11-10-7-5-3-2-4-6-7;1-2/h2-6,10H,1H3,(H2,9,11,12);1-2H3.
What are the key properties of 1-anilino-3-methylurea;ethane?
1-anilino-3-methylurea;ethane has a molecular weight of 195.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-methylurea;ethane is sourced from PubChem (CID 143768639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).