N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide

C18H27N3O3 — CID 39975440

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2CCCC[C@@H]2C)c1
InChIInChI=1S/C18H27N3O3/c1-14-7-4-5-10-21(14)13-18(23)20(2)12-17(22)19-15-8-6-9-16(11-15)24-3/h6,8-9,11,14H,4-5,7,10,12-13H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyRZDPRUVSZDBFPI-AWEZNQCLSA-N
MW333.43 g/mol
LogP1.97
Rot. Bonds6

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide (PubChem CID 39975440) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
PubChem CID39975440
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN2CCCC[C@@H]2C)c1
InChIInChI=1S/C18H27N3O3/c1-14-7-4-5-10-21(14)13-18(23)20(2)12-17(22)19-15-8-6-9-16(11-15)24-3/h6,8-9,11,14H,4-5,7,10,12-13H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyRZDPRUVSZDBFPI-AWEZNQCLSA-N
XLogP1.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-2-cyclohexylpyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 95349532
2-[2-(2-chlorophenyl)pyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 60513329
2-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 55840649
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583021
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
2-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8554767
2-(4-amino-3,3-dimethylpiperidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide;hydrochloride
CID 120774634
2-(2-formylpiperidin-1-yl)-N-(3-methoxyphenyl)acetamide
CID 62654790
2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 56570222
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 25336323
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 98545136

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide (CID 39975440) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide is COc1cccc(NC(=O)CN(C)C(=O)CN2CCCC[C@@H]2C)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
The InChIKey is RZDPRUVSZDBFPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-14-7-4-5-10-21(14)13-18(23)20(2)12-17(22)19-15-8-6-9-16(11-15)24-3/h6,8-9,11,14H,4-5,7,10,12-13H2,1-3H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide has a molecular weight of 333.43 g/mol, XLogP of 1.97, 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-[(2S)-2-methylpiperidin-1-yl]acetamide is sourced from PubChem (CID 39975440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).