N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide

C23H26N2O — CID 163527858

IUPACN-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)C(C1CCCCC1)=NCC2
InChIInChI=1S/C23H26N2O/c26-23(25-16-17-7-3-1-4-8-17)20-12-11-18-13-14-24-22(21(18)15-20)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,(H,25,26)
InChIKeyDQHYMGQHBPHXBT-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.54
Rot. Bonds4

About N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide

N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide (PubChem CID 163527858) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide
PubChem CID163527858
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc2c(c1)C(C1CCCCC1)=NCC2
InChIInChI=1S/C23H26N2O/c26-23(25-16-17-7-3-1-4-8-17)20-12-11-18-13-14-24-22(21(18)15-20)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,(H,25,26)
InChIKeyDQHYMGQHBPHXBT-UHFFFAOYSA-N
XLogP4.54
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-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

4-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180379
4-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-benzylbenzamide
CID 2180377
N-benzyl-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 11300878
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 718621
trans-(1R,2R)-2-[[4-(benzylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 7366556
N-benzyl-3-(2-methylpropyl)-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 58277930
N-benzyl-5-methyl-12-oxo-5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazoline-3-carboxamide
CID 91809756
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-3,4-difluorobenzamide
CID 1294460
2-(benzylcarbamoyl)cyclohexene-1-carboxylic acid
CID 4990695
N-[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-4-cyclohexylbenzamide
CID 52506120

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide?
The IUPAC name of N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide (CID 163527858) is N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide.
What is the SMILES notation for N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide?
The canonical SMILES for N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide is O=C(NCc1ccccc1)c1ccc2c(c1)C(C1CCCCC1)=NCC2.
What is the InChIKey of N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide?
The InChIKey is DQHYMGQHBPHXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c26-23(25-16-17-7-3-1-4-8-17)20-12-11-18-13-14-24-22(21(18)15-20)19-9-5-2-6-10-19/h1,3-4,7-8,11-12,15,19H,2,5-6,9-10,13-14,16H2,(H,25,26).
What are the key properties of N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide?
N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-cyclohexyl-3,4-dihydroisoquinoline-7-carboxamide is sourced from PubChem (CID 163527858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).