1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea

C23H27N3O — CID 1214877

IUPAC1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N(CCc1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C23H27N3O/c27-23(25-19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)16-15-18-17-24-22-14-8-7-13-21(18)22/h1,3-4,7-10,13-14,17,20,24H,2,5-6,11-12,15-16H2,(H,25,27)
InChIKeyUXVQSLFPMQVCCI-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.58
Rot. Bonds5

About 1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea

1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea (PubChem CID 1214877) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea
PubChem CID1214877
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N(CCc1c[nH]c2ccccc12)C1CCCCC1
InChIInChI=1S/C23H27N3O/c27-23(25-19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)16-15-18-17-24-22-14-8-7-13-21(18)22/h1,3-4,7-10,13-14,17,20,24H,2,5-6,11-12,15-16H2,(H,25,27)
InChIKeyUXVQSLFPMQVCCI-UHFFFAOYSA-N
XLogP5.58
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-N-methylcyclopentanecarboxamide
CID 110733076
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CID 46122001
1-(1,3-benzodioxol-5-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea
CID 42725646
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
N-[4-[3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]phenyl]acetamide
CID 23743728
N-cyclohexyl-2-[2-(1H-indol-3-yl)ethyl-methylsulfonylamino]acetamide
CID 113152451
2-[(3-chlorophenyl)carbamoyl-cyclopropylamino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 5116020
N-cyclohexyl-5-(1H-indol-3-yl)pentanamide
CID 140983117
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108888651
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645778
N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea?
The IUPAC name of 1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea (CID 1214877) is 1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea.
What is the SMILES notation for 1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea?
The canonical SMILES for 1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea is O=C(Nc1ccccc1)N(CCc1c[nH]c2ccccc12)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea?
The InChIKey is UXVQSLFPMQVCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(25-19-9-3-1-4-10-19)26(20-11-5-2-6-12-20)16-15-18-17-24-22-14-8-7-13-21(18)22/h1,3-4,7-10,13-14,17,20,24H,2,5-6,11-12,15-16H2,(H,25,27).
What are the key properties of 1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea?
1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea has a molecular weight of 361.49 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[2-(1H-indol-3-yl)ethyl]-3-phenylurea is sourced from PubChem (CID 1214877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).