1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea

C15H21N3O2 — CID 62319447

IUPAC1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
SMILESCC(=O)c1ccc(NC(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-10(19)11-2-6-13(7-3-11)17-15(20)18-14-8-4-12(16)5-9-14/h2-3,6-7,12,14H,4-5,8-9,16H2,1H3,(H2,17,18,20)
InChIKeyMPIBGJHPKRNFFA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds3

About 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea

1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea (PubChem CID 62319447) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
PubChem CID62319447
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
SMILESCC(=O)c1ccc(NC(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C15H21N3O2/c1-10(19)11-2-6-13(7-3-11)17-15(20)18-14-8-4-12(16)5-9-14/h2-3,6-7,12,14H,4-5,8-9,16H2,1H3,(H2,17,18,20)
InChIKeyMPIBGJHPKRNFFA-UHFFFAOYSA-N
XLogP2.28
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)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

3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032344
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-N-(4-acetylphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043399
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
4-(cyclopropylcarbamoylamino)-N,N-dimethylbenzamide
CID 47181034
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 158421344
1-(3-aminocyclobutyl)-3-(4-methylphenyl)urea
CID 43596708
1-N-(4-acetylphenyl)-2-N-cyclopropylcyclopropane-1,2-dicarboxamide
CID 109130958
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-methylbut-2-enamide
CID 47150343

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea (CID 62319447) is 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea is CC(=O)c1ccc(NC(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea?
The InChIKey is MPIBGJHPKRNFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(19)11-2-6-13(7-3-11)17-15(20)18-14-8-4-12(16)5-9-14/h2-3,6-7,12,14H,4-5,8-9,16H2,1H3,(H2,17,18,20).
What are the key properties of 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea?
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea has a molecular weight of 275.35 g/mol, XLogP of 2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea is sourced from PubChem (CID 62319447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).