4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide

C22H32N2O2 — CID 109149020

IUPAC4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCNC(=O)C1CCC(C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H32N2O2/c1-16(2)11-13-23-21(25)18-7-9-19(10-8-18)22(26)24-14-12-17-5-3-4-6-20(17)15-24/h3-6,16,18-19H,7-15H2,1-2H3,(H,23,25)
InChIKeyUOTRQGVSUPBKIG-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.54
Rot. Bonds5

About 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide (PubChem CID 109149020) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide
PubChem CID109149020
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide
SMILESCC(C)CCNC(=O)C1CCC(C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H32N2O2/c1-16(2)11-13-23-21(25)18-7-9-19(10-8-18)22(26)24-14-12-17-5-3-4-6-20(17)15-24/h3-6,16,18-19H,7-15H2,1-2H3,(H,23,25)
InChIKeyUOTRQGVSUPBKIG-UHFFFAOYSA-N
XLogP3.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[[C-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylcarbonimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 110946707
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(oxolan-2-ylmethyl)cyclohexane-1-carboxamide
CID 109146916
N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 109149043
N-(3-methylbutyl)-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109149725
N-(3-methylbutyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxamide
CID 109149372
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
N-(3-methylbutyl)-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
CID 110677779
N-(3-methylbutyl)-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005543
1-[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 97335580

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide (CID 109149020) is 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide is CC(C)CCNC(=O)C1CCC(C(=O)N2CCc3ccccc3C2)CC1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide?
The InChIKey is UOTRQGVSUPBKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-16(2)11-13-23-21(25)18-7-9-19(10-8-18)22(26)24-14-12-17-5-3-4-6-20(17)15-24/h3-6,16,18-19H,7-15H2,1-2H3,(H,23,25).
What are the key properties of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide?
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(3-methylbutyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109149020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).