N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

C18H26N2O — CID 63244251

IUPACN-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCC1CCC(CNC(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C18H26N2O/c1-13-7-9-14(10-8-13)12-20-18(21)16-4-2-6-17-15(16)5-3-11-19-17/h2,4,6,13-14,19H,3,5,7-12H2,1H3,(H,20,21)
InChIKeyUXWCXYJSGPPRSL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.60
Rot. Bonds3

About N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 63244251) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID63244251
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCC1CCC(CNC(=O)c2cccc3c2CCCN3)CC1
InChIInChI=1S/C18H26N2O/c1-13-7-9-14(10-8-13)12-20-18(21)16-4-2-6-17-15(16)5-3-11-19-17/h2,4,6,13-14,19H,3,5,7-12H2,1H3,(H,20,21)
InChIKeyUXWCXYJSGPPRSL-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850075
N-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849698
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 79082124
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-[(1-cyclopropylcyclopropyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 104954916
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127073
N-[3-(dimethylamino)propyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 55127025
N-[2-(methylsulfamoyl)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 106336780
N-[4-(dimethylamino)butyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850086
N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849365

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 63244251) is N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is CC1CCC(CNC(=O)c2cccc3c2CCCN3)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is UXWCXYJSGPPRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-7-9-14(10-8-13)12-20-18(21)16-4-2-6-17-15(16)5-3-11-19-17/h2,4,6,13-14,19H,3,5,7-12H2,1H3,(H,20,21).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 63244251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).