N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

C22H27N3O3 — CID 25336323

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2CCCc3cc(C)ccc32)c1
InChIInChI=1S/C22H27N3O3/c1-16-9-10-20-17(12-16)6-5-11-25(20)15-22(27)24(2)14-21(26)23-18-7-4-8-19(13-18)28-3/h4,7-10,12-13H,5-6,11,14-15H2,1-3H3,(H,23,26)
InChIKeyGIMFGTAKPWYPQE-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.85
Rot. Bonds6

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (PubChem CID 25336323) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
PubChem CID25336323
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2CCCc3cc(C)ccc32)c1
InChIInChI=1S/C22H27N3O3/c1-16-9-10-20-17(12-16)6-5-11-25(20)15-22(27)24(2)14-21(26)23-18-7-4-8-19(13-18)28-3/h4,7-10,12-13H,5-6,11,14-15H2,1-3H3,(H,23,26)
InChIKeyGIMFGTAKPWYPQE-UHFFFAOYSA-N
XLogP2.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 34009738
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913
2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 95349532
(2R)-N-(3-methoxyphenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593450
2-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 9418841
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914073
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 60513329
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26618245
N-(3-methoxyphenyl)-2-[methyl-[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]acetamide
CID 8682208

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide (CID 25336323) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is COc1cccc(NC(=O)CN(C)C(=O)CN2CCCc3cc(C)ccc32)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
The InChIKey is GIMFGTAKPWYPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-9-10-20-17(12-16)6-5-11-25(20)15-22(27)24(2)14-21(26)23-18-7-4-8-19(13-18)28-3/h4,7-10,12-13H,5-6,11,14-15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide has a molecular weight of 381.48 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide is sourced from PubChem (CID 25336323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).