1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea

C21H24N2O3 — CID 158421344

IUPAC1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
SMILESCC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(24)16-7-11-19(12-8-16)26-20-13-9-18(10-14-20)23-21(25)22-17-5-3-2-4-6-17/h2-8,11-12,18,20H,9-10,13-14H2,1H3,(H2,22,23,25)
InChIKeyMADUTHKCVLAMIA-UHFFFAOYSA-N
MW352.43 g/mol
LogP4.40
Rot. Bonds5

About 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea

1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea (PubChem CID 158421344) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
PubChem CID158421344
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
SMILESCC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C21H24N2O3/c1-15(24)16-7-11-19(12-8-16)26-20-13-9-18(10-14-20)23-21(25)22-17-5-3-2-4-6-17/h2-8,11-12,18,20H,9-10,13-14H2,1H3,(H2,22,23,25)
InChIKeyMADUTHKCVLAMIA-UHFFFAOYSA-N
XLogP4.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea 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-(4-acetylphenoxy)cyclohexyl]-3-(4-fluorophenyl)urea;1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea
CID 162127990
benzyl 4-[4-[(4-methylphenyl)carbamoylamino]cyclohexyl]oxybenzoate
CID 157304706
1-(4-acetylphenyl)-3-(4-aminocyclohexyl)urea
CID 62319447
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
1-(3-acetylphenyl)-3-cyclopropylurea
CID 47032116
1-[4-(4-acetylphenoxy)cyclohexyl]-3-[4-(trifluoromethoxy)anilino]urea
CID 59053948
2-[[4-[4-[4-[(4-bromophenyl)carbamoylamino]cyclohexyl]oxyphenoxy]benzoyl]amino]benzoic acid
CID 20602523
3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032344
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
1-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3-phenylurea
CID 90633954
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
CID 59168731
1-[4-(4-fluorophenoxy)cyclohexyl]-3-(2-methylphenyl)urea
CID 11709895

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea?
The IUPAC name of 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea (CID 158421344) is 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea.
What is the SMILES notation for 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea?
The canonical SMILES for 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea is CC(=O)c1ccc(OC2CCC(NC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea?
The InChIKey is MADUTHKCVLAMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15(24)16-7-11-19(12-8-16)26-20-13-9-18(10-14-20)23-21(25)22-17-5-3-2-4-6-17/h2-8,11-12,18,20H,9-10,13-14H2,1H3,(H2,22,23,25).
What are the key properties of 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea?
1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea has a molecular weight of 352.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenoxy)cyclohexyl]-3-phenylurea is sourced from PubChem (CID 158421344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).