1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea

C23H30N4O4 — CID 3446591

IUPAC1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea
SMILESCOc1ccccc1NC(=O)NC1CCC(C)C(NC(=O)Nc2ccccc2OC)C1
InChIInChI=1S/C23H30N4O4/c1-15-12-13-16(24-22(28)25-17-8-4-6-10-20(17)30-2)14-19(15)27-23(29)26-18-9-5-7-11-21(18)31-3/h4-11,15-16,19H,12-14H2,1-3H3,(H2,24,25,28)(H2,26,27,29)
InChIKeyLBSQHZISZRXLOR-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.20
Rot. Bonds6

About 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea

1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea (PubChem CID 3446591) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea
PubChem CID3446591
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea
SMILESCOc1ccccc1NC(=O)NC1CCC(C)C(NC(=O)Nc2ccccc2OC)C1
InChIInChI=1S/C23H30N4O4/c1-15-12-13-16(24-22(28)25-17-8-4-6-10-20(17)30-2)14-19(15)27-23(29)26-18-9-5-7-11-21(18)31-3/h4-11,15-16,19H,12-14H2,1-3H3,(H2,24,25,28)(H2,26,27,29)
InChIKeyLBSQHZISZRXLOR-UHFFFAOYSA-N
XLogP4.20
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea with MolForge

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Related Compounds

1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
CID 40636375
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521
1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
CID 42956451
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-(2-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513461
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
1-[(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-methoxyphenyl)urea
CID 98110150
2-[cyclopropylmethyl-[3-[(2-methoxyphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122073452
[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 9029443
1-N-cyclopropyl-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970708

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea (CID 3446591) is 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea is COc1ccccc1NC(=O)NC1CCC(C)C(NC(=O)Nc2ccccc2OC)C1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea?
The InChIKey is LBSQHZISZRXLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-15-12-13-16(24-22(28)25-17-8-4-6-10-20(17)30-2)14-19(15)27-23(29)26-18-9-5-7-11-21(18)31-3/h4-11,15-16,19H,12-14H2,1-3H3,(H2,24,25,28)(H2,26,27,29).
What are the key properties of 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea?
1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea has a molecular weight of 426.52 g/mol, XLogP of 4.20, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea is sourced from PubChem (CID 3446591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).