N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide

C20H28N2O3 — CID 75280043

IUPACN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)Cc3cccc(C)c3)CCC12
InChIInChI=1S/C20H28N2O3/c1-13-4-3-5-14(8-13)9-19(23)21-16-6-7-17-15(12-25-2)10-20(24)22-18(17)11-16/h3-5,8,15-18H,6-7,9-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKPDCGACRSUDCBY-UHFFFAOYSA-N
MW344.45 g/mol
LogP1.97
Rot. Bonds5

About N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide

N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide (PubChem CID 75280043) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide
PubChem CID75280043
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)Cc3cccc(C)c3)CCC12
InChIInChI=1S/C20H28N2O3/c1-13-4-3-5-14(8-13)9-19(23)21-16-6-7-17-15(12-25-2)10-20(24)22-18(17)11-16/h3-5,8,15-18H,6-7,9-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKPDCGACRSUDCBY-UHFFFAOYSA-N
XLogP1.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylacetamide
CID 75280036
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide
CID 75280028
2-indol-1-yl-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]acetamide
CID 75279904
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide
CID 75279918
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 75280082
2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75280077
8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide
CID 75280116
N-(4-aminocyclohexyl)-2-(3-methylphenyl)acetamide
CID 62387693
N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 6467373
N-(3-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
CID 71786211
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 75280400

Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide (CID 75280043) is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide is COCC1CC(=O)NC2CC(NC(=O)Cc3cccc(C)c3)CCC12.
What is the InChIKey of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is KPDCGACRSUDCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13-4-3-5-14(8-13)9-19(23)21-16-6-7-17-15(12-25-2)10-20(24)22-18(17)11-16/h3-5,8,15-18H,6-7,9-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide?
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 344.45 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 75280043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).