N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

C32H36N2O2 — CID 132575511

IUPACN-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCc1ccc(CN2CCc3ccccc3C2C(=O)N(C(=O)c2ccc(C)cc2)C2CCCCC2)cc1
InChIInChI=1S/C32H36N2O2/c1-23-12-16-25(17-13-23)22-33-21-20-26-8-6-7-11-29(26)30(33)32(36)34(28-9-4-3-5-10-28)31(35)27-18-14-24(2)15-19-27/h6-8,11-19,28,30H,3-5,9-10,20-22H2,1-2H3
InChIKeyVIDDDYQKVMILCO-UHFFFAOYSA-N
MW480.65 g/mol
LogP6.40
Rot. Bonds5

About N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide

N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (PubChem CID 132575511) has the molecular formula C32H36N2O2 and a molecular weight of 480.65 g/mol. Its IUPAC name is N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
PubChem CID132575511
Molecular FormulaC32H36N2O2
Molecular Weight480.65 g/mol
Exact Mass480.28
IUPAC NameN-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
SMILESCc1ccc(CN2CCc3ccccc3C2C(=O)N(C(=O)c2ccc(C)cc2)C2CCCCC2)cc1
InChIInChI=1S/C32H36N2O2/c1-23-12-16-25(17-13-23)22-33-21-20-26-8-6-7-11-29(26)30(33)32(36)34(28-9-4-3-5-10-28)31(35)27-18-14-24(2)15-19-27/h6-8,11-19,28,30H,3-5,9-10,20-22H2,1-2H3
InChIKeyVIDDDYQKVMILCO-UHFFFAOYSA-N
XLogP6.40
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-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-cyclohexyl-2-[(4-methylphenyl)methyl]-N-(pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 132575524
N-cyclohexyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentanoyl]-4-methylbenzamide
CID 134846553
methyl 2-[[4-(acetamidomethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 166719002
2-benzyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 23333363
N-benzoyl-10-benzyl-N-cyclohexyl-9H-acridine-9-carboxamide
CID 164672708
N-[(4-methylphenyl)methyl]-2-[1-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]acetamide
CID 50847656
N-(2,3-dihydro-1H-inden-1-yl)-N-[(4-methylphenyl)methyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55991774
1-di(propan-2-yloxy)phosphoryl-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 177440040
2-(furan-3-ylmethyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 65067481
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
formic acid;N-methyl-4-(piperidin-1-ylmethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 154911735
4-[(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]benzamide
CID 71908886

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The IUPAC name of N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide (CID 132575511) is N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide is Cc1ccc(CN2CCc3ccccc3C2C(=O)N(C(=O)c2ccc(C)cc2)C2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
The InChIKey is VIDDDYQKVMILCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O2/c1-23-12-16-25(17-13-23)22-33-21-20-26-8-6-7-11-29(26)30(33)32(36)34(28-9-4-3-5-10-28)31(35)27-18-14-24(2)15-19-27/h6-8,11-19,28,30H,3-5,9-10,20-22H2,1-2H3.
What are the key properties of N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide?
N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide has a molecular weight of 480.65 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(4-methylbenzoyl)-2-[(4-methylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide is sourced from PubChem (CID 132575511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).