N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide

C20H24N2O — CID 122188235

IUPACN-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C20H24N2O/c1-2-20(23)21-14-18-13-12-17-10-6-7-11-19(17)22(18)15-16-8-4-3-5-9-16/h3-11,18H,2,12-15H2,1H3,(H,21,23)
InChIKeyRNKJBOOYWLJISH-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.53
Rot. Bonds5

About N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide

N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (PubChem CID 122188235) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
PubChem CID122188235
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC NameN-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1CCc2ccccc2N1Cc1ccccc1
InChIInChI=1S/C20H24N2O/c1-2-20(23)21-14-18-13-12-17-10-6-7-11-19(17)22(18)15-16-8-4-3-5-9-16/h3-11,18H,2,12-15H2,1H3,(H,21,23)
InChIKeyRNKJBOOYWLJISH-UHFFFAOYSA-N
XLogP3.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The IUPAC name of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide (CID 122188235) is N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is CCC(=O)NCC1CCc2ccccc2N1Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
The InChIKey is RNKJBOOYWLJISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-20(23)21-14-18-13-12-17-10-6-7-11-19(17)22(18)15-16-8-4-3-5-9-16/h3-11,18H,2,12-15H2,1H3,(H,21,23).
What are the key properties of N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide?
N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide has a molecular weight of 308.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,4-dihydro-2H-quinolin-2-yl)methyl]propanamide is sourced from PubChem (CID 122188235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).