N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C18H26N2O — CID 65260376

IUPACN-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC1CCC(N(C)C(=O)C2CNCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-13-7-9-15(10-8-13)20(2)18(21)17-12-19-11-14-5-3-4-6-16(14)17/h3-6,13,15,17,19H,7-12H2,1-2H3
InChIKeyWWGNUOUVSFMYDC-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds2

About N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260376) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260376
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC1CCC(N(C)C(=O)C2CNCc3ccccc32)CC1
InChIInChI=1S/C18H26N2O/c1-13-7-9-15(10-8-13)20(2)18(21)17-12-19-11-14-5-3-4-6-16(14)17/h3-6,13,15,17,19H,7-12H2,1-2H3
InChIKeyWWGNUOUVSFMYDC-UHFFFAOYSA-N
XLogP2.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260840
2-[cyclopropyl(1,2,3,4-tetrahydroisoquinoline-4-carbonyl)amino]acetic acid
CID 65262150
N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395366
N-cyclopropyl-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262335
N,N-bis(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262216
N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 79121868
N-butan-2-yl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260889
N-methyl-N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43602044
N-(1-methoxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262336
(3-methylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 65262533
N-methyl-N-[4-(methylamino)cyclohexyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 79123084
N-(3-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 114546203

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260376) is N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC1CCC(N(C)C(=O)C2CNCc3ccccc32)CC1.
What is the InChIKey of N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is WWGNUOUVSFMYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-7-9-15(10-8-13)20(2)18(21)17-12-19-11-14-5-3-4-6-16(14)17/h3-6,13,15,17,19H,7-12H2,1-2H3.
What are the key properties of N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).