N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide

C24H28N2O — CID 31016479

IUPACN-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCC(C)=CCN1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1
InChIInChI=1S/C24H28N2O/c1-18(2)10-14-26-15-11-19-8-9-22(16-20(19)17-26)25-23(27)24(12-13-24)21-6-4-3-5-7-21/h3-10,16H,11-15,17H2,1-2H3,(H,25,27)
InChIKeyJRQNRLPSOUFMED-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.68
Rot. Bonds5

About N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide

N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 31016479) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID31016479
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC NameN-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide
SMILESCC(C)=CCN1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1
InChIInChI=1S/C24H28N2O/c1-18(2)10-14-26-15-11-19-8-9-22(16-20(19)17-26)25-23(27)24(12-13-24)21-6-4-3-5-7-21/h3-10,16H,11-15,17H2,1-2H3,(H,25,27)
InChIKeyJRQNRLPSOUFMED-UHFFFAOYSA-N
XLogP4.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-methyl-1H-pyrazol-3-yl)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide
CID 25273984
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpiperidine-4-carboxamide
CID 9141961
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbut-2-enoic acid
CID 77076186
N-[1-(4-methoxybenzoyl)-2,3-dihydroindol-6-yl]-1-phenylcyclopropane-1-carboxamide
CID 100788776
4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid
CID 63650023
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 16764862
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
N-(3-bromo-4-fluorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 115661448
N-(2-benzyl-1,3-dihydroisoindol-5-yl)acetamide
CID 15167888
3-[(1-phenylcyclopropanecarbonyl)amino]benzamide
CID 51152911
1-benzyl-2-methyl-N-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)azetidine-2-carboxamide
CID 69174075
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide (CID 31016479) is N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide is CC(C)=CCN1CCc2ccc(NC(=O)C3(c4ccccc4)CC3)cc2C1.
What is the InChIKey of N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is JRQNRLPSOUFMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O/c1-18(2)10-14-26-15-11-19-8-9-22(16-20(19)17-26)25-23(27)24(12-13-24)21-6-4-3-5-7-21/h3-10,16H,11-15,17H2,1-2H3,(H,25,27).
What are the key properties of N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide?
N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 360.50 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbut-2-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 31016479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).