1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea

C25H31N3O2 — CID 6622002

IUPAC1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea
SMILESCCOc1ccc(NC(=O)N(Cc2cn(C)c3ccccc23)C2CCCCC2)cc1
InChIInChI=1S/C25H31N3O2/c1-3-30-22-15-13-20(14-16-22)26-25(29)28(21-9-5-4-6-10-21)18-19-17-27(2)24-12-8-7-11-23(19)24/h7-8,11-17,21H,3-6,9-10,18H2,1-2H3,(H,26,29)
InChIKeyAPFDQIHBSUMULD-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.94
Rot. Bonds6

About 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea

1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea (PubChem CID 6622002) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea
PubChem CID6622002
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea
SMILESCCOc1ccc(NC(=O)N(Cc2cn(C)c3ccccc23)C2CCCCC2)cc1
InChIInChI=1S/C25H31N3O2/c1-3-30-22-15-13-20(14-16-22)26-25(29)28(21-9-5-4-6-10-21)18-19-17-27(2)24-12-8-7-11-23(19)24/h7-8,11-17,21H,3-6,9-10,18H2,1-2H3,(H,26,29)
InChIKeyAPFDQIHBSUMULD-UHFFFAOYSA-N
XLogP5.94
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-butoxyphenyl)-1-cyclohexyl-1-[(2-fluorophenyl)methyl]urea
CID 17383973
1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea
CID 5001476
2-[cyclopentyl-[(1-methylindol-3-yl)methyl]amino]acetic acid
CID 65058560
1-cyclohexyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430907
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430901
1-cyclohexyl-3-(2-ethoxyphenyl)-1-[(1-ethylindol-3-yl)methyl]thiourea
CID 53206863
1-cyclohexyl-1-methyl-3-(1-methylindol-3-yl)urea
CID 16813050
3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
CID 56541453
1-cyclopentyl-1-[(2,4-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)urea
CID 74231555
N-cyclopropyl-N-methyl-2-(1-methylindol-3-yl)acetamide
CID 67395295
2-[[(2S)-butan-2-yl]-[(4-ethoxyphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 7482382
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea (CID 6622002) is 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea is CCOc1ccc(NC(=O)N(Cc2cn(C)c3ccccc23)C2CCCCC2)cc1.
What is the InChIKey of 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea?
The InChIKey is APFDQIHBSUMULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-3-30-22-15-13-20(14-16-22)26-25(29)28(21-9-5-4-6-10-21)18-19-17-27(2)24-12-8-7-11-23(19)24/h7-8,11-17,21H,3-6,9-10,18H2,1-2H3,(H,26,29).
What are the key properties of 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea?
1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea has a molecular weight of 405.54 g/mol, XLogP of 5.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea is sourced from PubChem (CID 6622002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).