3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide

C26H24N2O2 — CID 46376204

IUPAC3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)cc1
InChIInChI=1S/C26H24N2O2/c1-18-7-14-23-20(17-18)11-15-25(27-23)22-5-3-4-6-24(22)28-26(29)16-10-19-8-12-21(30-2)13-9-19/h3-9,11-15,17H,10,16H2,1-2H3,(H,28,29)
InChIKeyMBVAOZVIIRDPEY-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.79
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide

3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide (PubChem CID 46376204) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide
PubChem CID46376204
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)cc1
InChIInChI=1S/C26H24N2O2/c1-18-7-14-23-20(17-18)11-15-25(27-23)22-5-3-4-6-24(22)28-26(29)16-10-19-8-12-21(30-2)13-9-19/h3-9,11-15,17H,10,16H2,1-2H3,(H,28,29)
InChIKeyMBVAOZVIIRDPEY-UHFFFAOYSA-N
XLogP5.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 2706279
N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
[2-(3-methylanilino)-2-oxoethyl] 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 42981329
3-(4-methoxyphenyl)-N-(3-oxo-2H-[1,2,4]triazolo[4,3-a]pyridin-8-yl)propanamide
CID 71682528
3-(4-methoxyphenyl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829673
N-(2-butoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 19221044
(2-oxo-2-propan-2-yloxyethyl) 2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 27042248
methyl 4,5-dimethoxy-2-[3-(4-methoxyphenyl)propanoylamino]benzoate
CID 5305505
N-(2-chloro-4-methylphenyl)-3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propanamide
CID 90069141
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide (CID 46376204) is 3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccccc2-c2ccc3cc(C)ccc3n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide?
The InChIKey is MBVAOZVIIRDPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18-7-14-23-20(17-18)11-15-25(27-23)22-5-3-4-6-24(22)28-26(29)16-10-19-8-12-21(30-2)13-9-19/h3-9,11-15,17H,10,16H2,1-2H3,(H,28,29).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide has a molecular weight of 396.49 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-(6-methylquinolin-2-yl)phenyl]propanamide is sourced from PubChem (CID 46376204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).