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

C21H24N2O — CID 113213995

IUPACN-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc(C2(CNC(=O)N3CCc4ccccc4C3)CC2)cc1
InChIInChI=1S/C21H24N2O/c1-16-6-8-19(9-7-16)21(11-12-21)15-22-20(24)23-13-10-17-4-2-3-5-18(17)14-23/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyPYAQXDUDYASQOY-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.79
Rot. Bonds3

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

N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 113213995) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID113213995
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCc1ccc(C2(CNC(=O)N3CCc4ccccc4C3)CC2)cc1
InChIInChI=1S/C21H24N2O/c1-16-6-8-19(9-7-16)21(11-12-21)15-22-20(24)23-13-10-17-4-2-3-5-18(17)14-23/h2-9H,10-15H2,1H3,(H,22,24)
InChIKeyPYAQXDUDYASQOY-UHFFFAOYSA-N
XLogP3.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 113214312
N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113213961
N-[(1-phenylcyclopropyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 18144092
4-benzyl-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperidine-1-carboxamide
CID 113214035
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
4-(3-chlorophenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214019
N-[2-[4-(4-methylphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 99806939
4-(4-methoxyphenyl)-N-[[1-(4-methylphenyl)cyclopropyl]methyl]piperazine-1-carboxamide
CID 113214041
N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989142
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71938865
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 113214657
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-methylphenyl)methyl]-3-oxopropanamide
CID 108945714

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 113213995) is N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is Cc1ccc(C2(CNC(=O)N3CCc4ccccc4C3)CC2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is PYAQXDUDYASQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-16-6-8-19(9-7-16)21(11-12-21)15-22-20(24)23-13-10-17-4-2-3-5-18(17)14-23/h2-9H,10-15H2,1H3,(H,22,24).
What are the key properties of N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 113213995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).