1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea

C12H17N3O — CID 43596708

IUPAC1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CC(N)C2)cc1
InChIInChI=1S/C12H17N3O/c1-8-2-4-10(5-3-8)14-12(16)15-11-6-9(13)7-11/h2-5,9,11H,6-7,13H2,1H3,(H2,14,15,16)
InChIKeyOCMAGBJLTDFVRC-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.61
Rot. Bonds2

About 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea

1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea (PubChem CID 43596708) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
PubChem CID43596708
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NC2CC(N)C2)cc1
InChIInChI=1S/C12H17N3O/c1-8-2-4-10(5-3-8)14-12(16)15-11-6-9(13)7-11/h2-5,9,11H,6-7,13H2,1H3,(H2,14,15,16)
InChIKeyOCMAGBJLTDFVRC-UHFFFAOYSA-N
XLogP1.61
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea 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-(4-hydroxycyclohexyl)-3-(4-methylphenyl)urea
CID 17412691
N-(3-aminocyclobutyl)-2-(4-methylphenyl)acetamide
CID 43594870
1-[4-[(3-aminocyclobutyl)amino]phenyl]-3-methylurea
CID 80560889
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019
1-(4-methylphenyl)-3-[(1S,5S)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 50903525
(3-aminocyclobutyl) N-(4-methylphenyl)carbamate
CID 79346677
1-(3-aminocyclobutyl)-3-(3-fluorophenyl)urea
CID 61029509
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
1-(4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 17423192
1-[(4S,5S)-1,3-dimethyl-5-[(4-methylphenyl)carbamoylamino]-2-oxoimidazolidin-4-yl]-3-(4-methylphenyl)urea
CID 7446709
1-(4-methylphenyl)-3-[(4-methylphenyl)carbamoylamino]urea
CID 54178073

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea (CID 43596708) is 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NC2CC(N)C2)cc1.
What is the InChIKey of 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea?
The InChIKey is OCMAGBJLTDFVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8-2-4-10(5-3-8)14-12(16)15-11-6-9(13)7-11/h2-5,9,11H,6-7,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea?
1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea has a molecular weight of 219.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 43596708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).