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

C19H23N3O — CID 167893023

IUPAC1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea
SMILESNC1CCC(NC(=O)Nc2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H23N3O/c20-16-9-11-17(12-10-16)21-19(23)22-18-8-4-7-15(13-18)14-5-2-1-3-6-14/h1-8,13,16-17H,9-12,20H2,(H2,21,22,23)
InChIKeyNKMGOBYKFCTGJO-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.74
Rot. Bonds3

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

1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea (PubChem CID 167893023) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea
PubChem CID167893023
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea
SMILESNC1CCC(NC(=O)Nc2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H23N3O/c20-16-9-11-17(12-10-16)21-19(23)22-18-8-4-7-15(13-18)14-5-2-1-3-6-14/h1-8,13,16-17H,9-12,20H2,(H2,21,22,23)
InChIKeyNKMGOBYKFCTGJO-UHFFFAOYSA-N
XLogP3.74
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

cis-(1S,3R)-3-amino-N-(3-phenylphenyl)cyclopentane-1-carboxamide
CID 56906171
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-cyclohexyl-3-(3-phenylphenyl)thiourea
CID 57392119
4-[(3-thiophen-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078651
N-(4-aminocyclohexyl)-3-(cyclopropanecarbonylamino)benzamide
CID 119477045
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
(3-phenylphenyl)carbamic acid
CID 611602
1-cyclopropyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]urea
CID 46321521
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea?
The IUPAC name of 1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea (CID 167893023) is 1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea.
What is the SMILES notation for 1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea?
The canonical SMILES for 1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea is NC1CCC(NC(=O)Nc2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea?
The InChIKey is NKMGOBYKFCTGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c20-16-9-11-17(12-10-16)21-19(23)22-18-8-4-7-15(13-18)14-5-2-1-3-6-14/h1-8,13,16-17H,9-12,20H2,(H2,21,22,23).
What are the key properties of 1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea?
1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea has a molecular weight of 309.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-3-(3-phenylphenyl)urea is sourced from PubChem (CID 167893023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).