N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide

C23H28N2O — CID 23333327

IUPACN-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1c2ccccc2CCN1CC1CC1)c1ccccc1
InChIInChI=1S/C23H28N2O/c1-2-23(26)25(20-9-4-3-5-10-20)17-22-21-11-7-6-8-19(21)14-15-24(22)16-18-12-13-18/h3-11,18,22H,2,12-17H2,1H3
InChIKeyXMSNNVQAJPJSBE-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.44
Rot. Bonds6

About N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide

N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide (PubChem CID 23333327) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide
PubChem CID23333327
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC NameN-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide
SMILESCCC(=O)N(CC1c2ccccc2CCN1CC1CC1)c1ccccc1
InChIInChI=1S/C23H28N2O/c1-2-23(26)25(20-9-4-3-5-10-20)17-22-21-11-7-6-8-19(21)14-15-24(22)16-18-12-13-18/h3-11,18,22H,2,12-17H2,1H3
InChIKeyXMSNNVQAJPJSBE-UHFFFAOYSA-N
XLogP4.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide 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

2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
CID 63949438
3-[(1S)-1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl]propanoic acid
CID 97317221
2-[(1R)-2-acetyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-(cyclopropylmethyl)-N-methylacetamide
CID 97313173
N-benzyl-2-(1-benzyl-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 22742744
benzyl 3-[(N-propanoylanilino)methyl]azepane-1-carboxylate
CID 20598087
N-phenyl-N-[[1-[(2Z)-2-sulfanylpenta-2,4-dienyl]azepan-3-yl]methyl]propanamide
CID 142099231
N-phenyl-N-[[(3R)-1-(2-phenylpropyl)piperidin-3-yl]methyl]propanamide
CID 59101556
N-ethyl-2-(1-methylpiperidin-4-yl)-N-phenylacetamide
CID 110754675
N-[[1-[[(5R)-5-acetamido-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]piperidin-2-yl]methyl]-N-phenylpropanamide
CID 127037396
2-ethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 173135351
N-phenyl-N-[[1-[(2-phenylethylamino)methyl]azepan-3-yl]methyl]propanamide
CID 57086462
N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide
CID 25181844

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide?
The IUPAC name of N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide (CID 23333327) is N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide.
What is the SMILES notation for N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide?
The canonical SMILES for N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide is CCC(=O)N(CC1c2ccccc2CCN1CC1CC1)c1ccccc1.
What is the InChIKey of N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide?
The InChIKey is XMSNNVQAJPJSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-2-23(26)25(20-9-4-3-5-10-20)17-22-21-11-7-6-8-19(21)14-15-24(22)16-18-12-13-18/h3-11,18,22H,2,12-17H2,1H3.
What are the key properties of N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide?
N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide has a molecular weight of 348.49 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-N-phenylpropanamide is sourced from PubChem (CID 23333327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).