N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide

C21H22N2O — CID 51929652

IUPACN-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide
SMILESCC[C@@H](NC(=O)Cc1cccc2cccnc12)c1ccc(C)cc1
InChIInChI=1S/C21H22N2O/c1-3-19(16-11-9-15(2)10-12-16)23-20(24)14-18-7-4-6-17-8-5-13-22-21(17)18/h4-13,19H,3,14H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyVKERTMYWHIEGOF-LJQANCHMSA-N
MW318.42 g/mol
LogP4.35
Rot. Bonds5

About N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide

N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide (PubChem CID 51929652) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide
PubChem CID51929652
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide
SMILESCC[C@@H](NC(=O)Cc1cccc2cccnc12)c1ccc(C)cc1
InChIInChI=1S/C21H22N2O/c1-3-19(16-11-9-15(2)10-12-16)23-20(24)14-18-7-4-6-17-8-5-13-22-21(17)18/h4-13,19H,3,14H2,1-2H3,(H,23,24)/t19-/m1/s1
InChIKeyVKERTMYWHIEGOF-LJQANCHMSA-N
XLogP4.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide 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

(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 24623993
N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 20796159
N-[1-(2-methylphenyl)ethyl]-2-quinolin-8-ylacetamide
CID 51320797
(2R)-2-phenyl-2-[(2-quinolin-8-ylacetyl)amino]acetamide
CID 94598983
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999
2-(2,4-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 133185866
N-[1-(5-methylfuran-2-yl)ethyl]-2-quinolin-8-ylacetamide
CID 51320956
1-[(2-ethoxy-3-pyridinyl)methyl]-3-[1-(4-methylphenyl)propyl]urea
CID 42891466
N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
N-[(1S)-1-(4-methylphenyl)propyl]-2-phenoxyacetamide
CID 27754182
2-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 25494188

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide (CID 51929652) is N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide is CC[C@@H](NC(=O)Cc1cccc2cccnc12)c1ccc(C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide?
The InChIKey is VKERTMYWHIEGOF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H22N2O/c1-3-19(16-11-9-15(2)10-12-16)23-20(24)14-18-7-4-6-17-8-5-13-22-21(17)18/h4-13,19H,3,14H2,1-2H3,(H,23,24)/t19-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide?
N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide has a molecular weight of 318.42 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide is sourced from PubChem (CID 51929652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).