N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C16H22N2O4 — CID 113174510

IUPACN-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)N2CCCC2)C(C)=O)c1
InChIInChI=1S/C16H22N2O4/c1-12(19)18(11-16(20)17-8-4-5-9-17)14-10-13(21-2)6-7-15(14)22-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyICVKKOPATMSNNZ-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.68
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 113174510) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID113174510
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)N2CCCC2)C(C)=O)c1
InChIInChI=1S/C16H22N2O4/c1-12(19)18(11-16(20)17-8-4-5-9-17)14-10-13(21-2)6-7-15(14)22-3/h6-7,10H,4-5,8-9,11H2,1-3H3
InChIKeyICVKKOPATMSNNZ-UHFFFAOYSA-N
XLogP1.68
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113173112
N-(5-chloro-2-methoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113172796
ethyl 4-[2-(N-acetyl-2-methoxy-5-methylanilino)acetyl]piperazine-1-carboxylate
CID 113174079
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 113145116
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113174831
N-[2-(azepan-1-yl)-2-oxoethyl]-2,5-dimethoxy-N-methylbenzenesulfonamide
CID 1259921
1-(azocan-1-yl)-2-[cyclopropyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanone
CID 134007217
2,5-dimethoxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1259918
2-(N-acetyl-2,5-dimethoxyanilino)-N-(2,6-dichlorophenyl)acetamide
CID 113174647
3-(2,5-dimethoxyphenyl)-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)propanamide
CID 86934270

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 113174510) is N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is COc1ccc(OC)c(N(CC(=O)N2CCCC2)C(C)=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is ICVKKOPATMSNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(19)18(11-16(20)17-8-4-5-9-17)14-10-13(21-2)6-7-15(14)22-3/h6-7,10H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 306.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 113174510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).