N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide

C21H22N2O — CID 91781862

IUPACN-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide
SMILESCc1ccc(C(C)C(=O)N(C)Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O/c1-15-8-10-18(11-9-15)16(2)21(24)23(3)14-17-12-19-6-4-5-7-20(19)22-13-17/h4-13,16H,14H2,1-3H3
InChIKeyXKXWJIDPRBLFPH-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.31
Rot. Bonds4

About N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide

N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide (PubChem CID 91781862) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide
PubChem CID91781862
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC NameN-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide
SMILESCc1ccc(C(C)C(=O)N(C)Cc2cnc3ccccc3c2)cc1
InChIInChI=1S/C21H22N2O/c1-15-8-10-18(11-9-15)16(2)21(24)23(3)14-17-12-19-6-4-5-7-20(19)22-13-17/h4-13,16H,14H2,1-3H3
InChIKeyXKXWJIDPRBLFPH-UHFFFAOYSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-hydroxy-2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 95230216
N,4-dimethyl-N-(quinolin-3-ylmethyl)benzenesulfonamide
CID 110733912
2-fluoro-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733867
2-(4-methoxyphenyl)-N-methyl-N-(quinolin-3-ylmethyl)acetamide
CID 110733880
3,5-dimethoxy-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733874
N-methyl-4-phenoxy-N-(quinolin-3-ylmethyl)butanamide
CID 110745516
4-acetamido-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110745532
2-[propan-2-yl(quinolin-3-ylmethyl)amino]ethanol
CID 113345069
(4-methylphenyl)-quinolin-3-ylmethanol
CID 60924632
N,4-dimethyl-N-(quinolin-6-ylmethyl)benzamide
CID 121451784
3-(2-methylpropyl)quinoline
CID 12072851
2-methyl-N-(quinolin-3-ylmethyl)propanamide
CID 110733747

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide (CID 91781862) is N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide is Cc1ccc(C(C)C(=O)N(C)Cc2cnc3ccccc3c2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide?
The InChIKey is XKXWJIDPRBLFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-8-10-18(11-9-15)16(2)21(24)23(3)14-17-12-19-6-4-5-7-20(19)22-13-17/h4-13,16H,14H2,1-3H3.
What are the key properties of N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide?
N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-N-(quinolin-3-ylmethyl)propanamide is sourced from PubChem (CID 91781862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).