1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea

C17H23N3O — CID 110748890

IUPAC1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
SMILESCn1cc(CCNC(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-20-12-13(15-8-4-5-9-16(15)20)10-11-18-17(21)19-14-6-2-3-7-14/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3,(H2,18,19,21)
InChIKeyDQCISTPPDPXKSY-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.96
Rot. Bonds4

About 1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea

1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea (PubChem CID 110748890) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
PubChem CID110748890
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea
SMILESCn1cc(CCNC(=O)NC2CCCC2)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-20-12-13(15-8-4-5-9-16(15)20)10-11-18-17(21)19-14-6-2-3-7-14/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3,(H2,18,19,21)
InChIKeyDQCISTPPDPXKSY-UHFFFAOYSA-N
XLogP2.96
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea (CID 110748890) is 1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea is Cn1cc(CCNC(=O)NC2CCCC2)c2ccccc21.
What is the InChIKey of 1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea?
The InChIKey is DQCISTPPDPXKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-20-12-13(15-8-4-5-9-16(15)20)10-11-18-17(21)19-14-6-2-3-7-14/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3,(H2,18,19,21).
What are the key properties of 1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea?
1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea has a molecular weight of 285.39 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(1-methylindol-3-yl)ethyl]urea is sourced from PubChem (CID 110748890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).