N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C25H32N2O4 — CID 56505683

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCOc1ccc(C(C)NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1OCC
InChIInChI=1S/C25H32N2O4/c1-4-30-21-15-14-20(17-22(21)31-5-2)18(3)26-25(29)24(19-11-7-6-8-12-19)27-16-10-9-13-23(27)28/h6-8,11-12,14-15,17-18,24H,4-5,9-10,13,16H2,1-3H3,(H,26,29)
InChIKeyDYZNPFXMGDGRCA-UHFFFAOYSA-N
MW424.54 g/mol
LogP4.41
Rot. Bonds9

About N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56505683) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56505683
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCCOc1ccc(C(C)NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1OCC
InChIInChI=1S/C25H32N2O4/c1-4-30-21-15-14-20(17-22(21)31-5-2)18(3)26-25(29)24(19-11-7-6-8-12-19)27-16-10-9-13-23(27)28/h6-8,11-12,14-15,17-18,24H,4-5,9-10,13,16H2,1-3H3,(H,26,29)
InChIKeyDYZNPFXMGDGRCA-UHFFFAOYSA-N
XLogP4.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 56515947
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56505177
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 56574475
N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577903
(2R)-N-[(1S)-1-(1,2,4-oxadiazol-3-yl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 124590772
N-(4-methyl-4-phenylpentan-2-yl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56504942
N-[1-(3,4-diethoxyphenyl)ethyl]-2-phenyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 47071495
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516265
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 9437337
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
N-(cyclopropylmethyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515214
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513328

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56505683) is N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is CCOc1ccc(C(C)NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is DYZNPFXMGDGRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-4-30-21-15-14-20(17-22(21)31-5-2)18(3)26-25(29)24(19-11-7-6-8-12-19)27-16-10-9-13-23(27)28/h6-8,11-12,14-15,17-18,24H,4-5,9-10,13,16H2,1-3H3,(H,26,29).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 424.54 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56505683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).