1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea

C21H26N2O3 — CID 71072413

IUPAC1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C2CCC(O)CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-14-3-12-20(26-2)19(13-14)23-21(25)22-17-8-4-15(5-9-17)16-6-10-18(24)11-7-16/h3-5,8-9,12-13,16,18,24H,6-7,10-11H2,1-2H3,(H2,22,23,25)
InChIKeyDMKULJBLZUOROC-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.67
Rot. Bonds4

About 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea

1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 71072413) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID71072413
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCOc1ccc(C)cc1NC(=O)Nc1ccc(C2CCC(O)CC2)cc1
InChIInChI=1S/C21H26N2O3/c1-14-3-12-20(26-2)19(13-14)23-21(25)22-17-8-4-15(5-9-17)16-6-10-18(24)11-7-16/h3-5,8-9,12-13,16,18,24H,6-7,10-11H2,1-2H3,(H2,22,23,25)
InChIKeyDMKULJBLZUOROC-UHFFFAOYSA-N
XLogP4.67
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea with MolForge

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Related Compounds

4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
CID 59278786
1-(2-methoxy-5-methylphenyl)-3-(4-methylphenyl)urea
CID 16640797
2-[[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexanecarbonyl]amino]-2-methylpropanoic acid
CID 24992616
methyl 2-[[2-[4-[4-[(2-methoxy-5-methylphenyl)carbamoylamino]phenyl]cyclohexyl]-2-oxoethyl]amino]-2-methylpropanoate
CID 68588073
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
1-(2-methoxy-5-methylphenyl)-3-(4-piperazin-1-ylphenyl)urea
CID 69447816
1-(4-bromo-2,5-dimethoxyphenyl)-3-(4-methylphenyl)urea
CID 19170100
1-(5-chloro-2-methoxyphenyl)-3-(4-cyclohexylphenyl)urea;propan-2-yl formate
CID 143736753
1-(2-methoxy-5-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 51062441
N-[4-(2-methoxy-5-methylanilino)phenyl]acetamide
CID 112987716
1-N-(4-ethylphenyl)-4-N-(2-methoxy-5-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150784

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea (CID 71072413) is 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea is COc1ccc(C)cc1NC(=O)Nc1ccc(C2CCC(O)CC2)cc1.
What is the InChIKey of 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is DMKULJBLZUOROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-3-12-20(26-2)19(13-14)23-21(25)22-17-8-4-15(5-9-17)16-6-10-18(24)11-7-16/h3-5,8-9,12-13,16,18,24H,6-7,10-11H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 354.45 g/mol, XLogP of 4.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-hydroxycyclohexyl)phenyl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 71072413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).