N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

C23H26N2O3 — CID 1395860

IUPACN-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)C)cc1
InChIInChI=1S/C23H26N2O3/c1-5-28-20-11-9-19(10-12-20)25(23(27)15(2)3)14-18-13-17-8-6-7-16(4)21(17)24-22(18)26/h6-13,15H,5,14H2,1-4H3,(H,24,26)
InChIKeyBZTSDPDGFOJRFN-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.42
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide

N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (PubChem CID 1395860) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
PubChem CID1395860
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
SMILESCCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)C)cc1
InChIInChI=1S/C23H26N2O3/c1-5-28-20-11-9-19(10-12-20)25(23(27)15(2)3)14-18-13-17-8-6-7-16(4)21(17)24-22(18)26/h6-13,15H,5,14H2,1-4H3,(H,24,26)
InChIKeyBZTSDPDGFOJRFN-UHFFFAOYSA-N
XLogP4.42
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cilostamide
CID 2753
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
1-(4-{2-[Benzyl(methyl)amino]ethoxy}phenyl)-4-(benzyloxy)pyridin-2(1H)-one
CID 53321223
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-[(4-methoxyphenoxy)methyl]quinolin-2(1H)-one
CID 1508968
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
1-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 54699372
N-(2,4-dimethylphenyl)-3-phenoxypropanamide
CID 725623
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 941920
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxo-
CID 54676680
(2S)-2-amino-N-[4-(benzyloxy)phenyl]propanamide
CID 22690542
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide (CID 1395860) is N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C(C)C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
The InChIKey is BZTSDPDGFOJRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-28-20-11-9-19(10-12-20)25(23(27)15(2)3)14-18-13-17-8-6-7-16(4)21(17)24-22(18)26/h6-13,15H,5,14H2,1-4H3,(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide?
N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide has a molecular weight of 378.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-methyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide is sourced from PubChem (CID 1395860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).