N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

C18H26N2O — CID 61468172

IUPACN-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCCC1CCC(NC(=O)C2CCc3ccccc3N2)CC1
InChIInChI=1S/C18H26N2O/c1-2-13-7-10-15(11-8-13)19-18(21)17-12-9-14-5-3-4-6-16(14)20-17/h3-6,13,15,17,20H,2,7-12H2,1H3,(H,19,21)
InChIKeyKBOKVWXYMJATLF-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.50
Rot. Bonds3

About N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide

N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (PubChem CID 61468172) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
PubChem CID61468172
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
SMILESCCC1CCC(NC(=O)C2CCc3ccccc3N2)CC1
InChIInChI=1S/C18H26N2O/c1-2-13-7-10-15(11-8-13)19-18(21)17-12-9-14-5-3-4-6-16(14)20-17/h3-6,13,15,17,20H,2,7-12H2,1H3,(H,19,21)
InChIKeyKBOKVWXYMJATLF-UHFFFAOYSA-N
XLogP3.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide (CID 61468172) is N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is CCC1CCC(NC(=O)C2CCc3ccccc3N2)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
The InChIKey is KBOKVWXYMJATLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-13-7-10-15(11-8-13)19-18(21)17-12-9-14-5-3-4-6-16(14)20-17/h3-6,13,15,17,20H,2,7-12H2,1H3,(H,19,21).
What are the key properties of N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide?
N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide is sourced from PubChem (CID 61468172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).