1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea

C22H28N4O4 — CID 10295162

IUPAC1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
SMILESCOc1cccc(NC(=O)NC2CCCC(NC(=O)Nc3cccc(OC)c3)C2)c1
InChIInChI=1S/C22H28N4O4/c1-29-19-10-4-8-17(13-19)25-21(27)23-15-6-3-7-16(12-15)24-22(28)26-18-9-5-11-20(14-18)30-2/h4-5,8-11,13-16H,3,6-7,12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChIKeyFNTAEIPCZBYVBU-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.96
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea

1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea (PubChem CID 10295162) has the molecular formula C22H28N4O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
PubChem CID10295162
Molecular FormulaC22H28N4O4
Molecular Weight412.49 g/mol
Exact Mass412.21
IUPAC Name1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
SMILESCOc1cccc(NC(=O)NC2CCCC(NC(=O)Nc3cccc(OC)c3)C2)c1
InChIInChI=1S/C22H28N4O4/c1-29-19-10-4-8-17(13-19)25-21(27)23-15-6-3-7-16(12-15)24-22(28)26-18-9-5-11-20(14-18)30-2/h4-5,8-11,13-16H,3,6-7,12H2,1-2H3,(H2,23,25,27)(H2,24,26,28)
InChIKeyFNTAEIPCZBYVBU-UHFFFAOYSA-N
XLogP3.96
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea with MolForge

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Related Compounds

1-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(3-methoxyphenyl)urea
CID 1460691
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
1-(3-methoxyphenyl)-3-(1-methylsulfanylpiperidin-3-yl)urea
CID 91161259
1-(3-methoxyphenyl)-3-[(1R,5R)-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-yl]urea
CID 1461728
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
1-[2-(hydroxymethyl)cyclopentyl]-3-(3-methoxyphenyl)urea
CID 103709893
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-(3-methoxyphenyl)-3-[[(1R,3S)-3-[[(3-methoxyphenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 27017960
[3-(cyclododecylcarbamoylamino)phenyl] acetate
CID 108865173
[3-(cycloheptylcarbamoylamino)phenyl] acetate
CID 108865301
1-(5-azaspiro[3.5]nonan-8-yl)-3-(3-methoxyphenyl)urea
CID 61322127

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea (CID 10295162) is 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea is COc1cccc(NC(=O)NC2CCCC(NC(=O)Nc3cccc(OC)c3)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea?
The InChIKey is FNTAEIPCZBYVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4/c1-29-19-10-4-8-17(13-19)25-21(27)23-15-6-3-7-16(12-15)24-22(28)26-18-9-5-11-20(14-18)30-2/h4-5,8-11,13-16H,3,6-7,12H2,1-2H3,(H2,23,25,27)(H2,24,26,28).
What are the key properties of 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea?
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea has a molecular weight of 412.49 g/mol, XLogP of 3.96, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea is sourced from PubChem (CID 10295162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).