1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea

C19H27N3O — CID 712567

IUPAC1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea
SMILESCc1ccc2[nH]c(C)c(CCNC(=O)NC3CCCCC3)c2c1
InChIInChI=1S/C19H27N3O/c1-13-8-9-18-17(12-13)16(14(2)21-18)10-11-20-19(23)22-15-6-4-3-5-7-15/h8-9,12,15,21H,3-7,10-11H2,1-2H3,(H2,20,22,23)
InChIKeyGJTHRSSUOHKEAN-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.96
Rot. Bonds4

About 1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea

1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea (PubChem CID 712567) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea
PubChem CID712567
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea
SMILESCc1ccc2[nH]c(C)c(CCNC(=O)NC3CCCCC3)c2c1
InChIInChI=1S/C19H27N3O/c1-13-8-9-18-17(12-13)16(14(2)21-18)10-11-20-19(23)22-15-6-4-3-5-7-15/h8-9,12,15,21H,3-7,10-11H2,1-2H3,(H2,20,22,23)
InChIKeyGJTHRSSUOHKEAN-UHFFFAOYSA-N
XLogP3.96
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea (CID 712567) is 1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea is Cc1ccc2[nH]c(C)c(CCNC(=O)NC3CCCCC3)c2c1.
What is the InChIKey of 1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea?
The InChIKey is GJTHRSSUOHKEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13-8-9-18-17(12-13)16(14(2)21-18)10-11-20-19(23)22-15-6-4-3-5-7-15/h8-9,12,15,21H,3-7,10-11H2,1-2H3,(H2,20,22,23).
What are the key properties of 1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea?
1-cyclohexyl-3-[2-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea has a molecular weight of 313.44 g/mol, XLogP of 3.96, 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-(2,5-dimethyl-1H-indol-3-yl)ethyl]urea is sourced from PubChem (CID 712567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).