1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

C18H25N3O — CID 86875661

IUPAC1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1ccc2c(CCNC(=O)NC3CCCCC3)c[nH]c2c1
InChIInChI=1S/C18H25N3O/c1-13-7-8-16-14(12-20-17(16)11-13)9-10-19-18(22)21-15-5-3-2-4-6-15/h7-8,11-12,15,20H,2-6,9-10H2,1H3,(H2,19,21,22)
InChIKeyUZDLVYVBHFOLSL-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.65
Rot. Bonds4

About 1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea

1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (PubChem CID 86875661) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
PubChem CID86875661
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
SMILESCc1ccc2c(CCNC(=O)NC3CCCCC3)c[nH]c2c1
InChIInChI=1S/C18H25N3O/c1-13-7-8-16-14(12-20-17(16)11-13)9-10-19-18(22)21-15-5-3-2-4-6-15/h7-8,11-12,15,20H,2-6,9-10H2,1H3,(H2,19,21,22)
InChIKeyUZDLVYVBHFOLSL-UHFFFAOYSA-N
XLogP3.65
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(6-methyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 82497315
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
1-cyclohexyl-3-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110326400
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 111505645
N-cyclopropyl-4-[[ethylamino-[2-(6-methyl-1H-indol-3-yl)ethylamino]methylidene]amino]butanamide
CID 111974360
1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3-(2-quinolin-8-ylethyl)urea
CID 86875692
4-acetyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51103594
1-(3-ethylsulfinylcyclohexyl)-2-methyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]guanidine
CID 109436985
4-(1-hydroxyethyl)-N-[2-(6-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboxamide
CID 111438569
1-[2-(1H-indol-3-yl)ethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55590613
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-3-(4-hydroxycyclohexyl)urea
CID 111423653

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea (CID 86875661) is 1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is Cc1ccc2c(CCNC(=O)NC3CCCCC3)c[nH]c2c1.
What is the InChIKey of 1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is UZDLVYVBHFOLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13-7-8-16-14(12-20-17(16)11-13)9-10-19-18(22)21-15-5-3-2-4-6-15/h7-8,11-12,15,20H,2-6,9-10H2,1H3,(H2,19,21,22).
What are the key properties of 1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea?
1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 299.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 86875661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).