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

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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).