1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea

C19H27N3O — CID 108888651

IUPAC1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NCCC1CCCCC1
InChIInChI=1S/C19H27N3O/c23-19(20-12-10-15-6-2-1-3-7-15)21-13-11-16-14-22-18-9-5-4-8-17(16)18/h4-5,8-9,14-15,22H,1-3,6-7,10-13H2,(H2,20,21,23)
InChIKeyDHOPYVGFSITPAW-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.98
Rot. Bonds6

About 1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea

1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea (PubChem CID 108888651) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
PubChem CID108888651
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
SMILESO=C(NCCc1c[nH]c2ccccc12)NCCC1CCCCC1
InChIInChI=1S/C19H27N3O/c23-19(20-12-10-15-6-2-1-3-7-15)21-13-11-16-14-22-18-9-5-4-8-17(16)18/h4-5,8-9,14-15,22H,1-3,6-7,10-13H2,(H2,20,21,23)
InChIKeyDHOPYVGFSITPAW-UHFFFAOYSA-N
XLogP3.98
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-hydroxyethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 110894130
1-[3-(cyclopropylmethoxy)propyl]-3-[2-(1H-indol-3-yl)ethyl]urea
CID 86992805
(2S)-2-amino-N-(2-cyclopentylethyl)-3-(1H-indol-3-yl)propanamide
CID 119956583
N-(2-cyclopentylethyl)-1H-indole-3-carboxamide
CID 47267271
N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide
CID 110853397
N'-cyclopentyl-N-[2-(1H-indol-3-yl)ethyl]propanediamide
CID 108942165
1-(2-cyclohexylethyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 108888695
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
N-[2-(cyclohexylmethylamino)ethyl]-3-(1H-indol-3-yl)propanamide
CID 68709397
1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 55770071
1-[2-(1H-indol-3-yl)ethyl]-3-(methoxymethyl)urea
CID 110675938
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea (CID 108888651) is 1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea is O=C(NCCc1c[nH]c2ccccc12)NCCC1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
The InChIKey is DHOPYVGFSITPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c23-19(20-12-10-15-6-2-1-3-7-15)21-13-11-16-14-22-18-9-5-4-8-17(16)18/h4-5,8-9,14-15,22H,1-3,6-7,10-13H2,(H2,20,21,23).
What are the key properties of 1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea?
1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea has a molecular weight of 313.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-[2-(1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 108888651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).