1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea

C30H35ClN2O4 — CID 42700123

IUPAC1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C30H35ClN2O4/c1-35-28-16-11-22(20-29(28)36-2)17-18-33(30(34)32-25-8-4-3-5-9-25)21-23-7-6-10-27(19-23)37-26-14-12-24(31)13-15-26/h6-7,10-16,19-20,25H,3-5,8-9,17-18,21H2,1-2H3,(H,32,34)
InChIKeyOTEUDISRTHJPCX-UHFFFAOYSA-N
MW523.07 g/mol
LogP7.24
Rot. Bonds10

About 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea

1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea (PubChem CID 42700123) has the molecular formula C30H35ClN2O4 and a molecular weight of 523.07 g/mol. Its IUPAC name is 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea
PubChem CID42700123
Molecular FormulaC30H35ClN2O4
Molecular Weight523.07 g/mol
Exact Mass522.23
IUPAC Name1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C(=O)NC2CCCCC2)cc1OC
InChIInChI=1S/C30H35ClN2O4/c1-35-28-16-11-22(20-29(28)36-2)17-18-33(30(34)32-25-8-4-3-5-9-25)21-23-7-6-10-27(19-23)37-26-14-12-24(31)13-15-26/h6-7,10-16,19-20,25H,3-5,8-9,17-18,21H2,1-2H3,(H,32,34)
InChIKeyOTEUDISRTHJPCX-UHFFFAOYSA-N
XLogP7.24
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.07
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]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-[[3-(4-chlorophenoxy)phenyl]methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42700124
3-cyclopropyl-1-[(3,4-dimethoxyphenyl)methyl]-1-ethylurea
CID 86916160
2-[(4-chlorophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclopentylpropanamide
CID 132615819
3-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]urea
CID 42657203
3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-cyclohexylpropanamide
CID 113121338
(2S)-2-[[2-(4-chlorophenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 100509731
3-cyclohexyl-1-[(3-methoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3572608
3-cyclohexyl-1-[2-(3-methoxyphenyl)ethyl]-1-[[2-[4-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]urea
CID 44571939
2-[(2-chloroacetyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 86810155
2-[cyclohexylcarbamoyl(propyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4253980
N-(cyclohexylcarbamoyl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]acetamide
CID 8583881
2-[[2-(4-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132613940

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea (CID 42700123) is 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea is COc1ccc(CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C(=O)NC2CCCCC2)cc1OC.
What is the InChIKey of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea?
The InChIKey is OTEUDISRTHJPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35ClN2O4/c1-35-28-16-11-22(20-29(28)36-2)17-18-33(30(34)32-25-8-4-3-5-9-25)21-23-7-6-10-27(19-23)37-26-14-12-24(31)13-15-26/h6-7,10-16,19-20,25H,3-5,8-9,17-18,21H2,1-2H3,(H,32,34).
What are the key properties of 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea?
1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea has a molecular weight of 523.07 g/mol, XLogP of 7.24, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-chlorophenoxy)phenyl]methyl]-3-cyclohexyl-1-[2-(3,4-dimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 42700123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).