1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide

C16H22N2O3 — CID 62037784

IUPAC1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCOc1ccc(C(=O)CN2CCCC2C(=O)NC)cc1
InChIInChI=1S/C16H22N2O3/c1-3-21-13-8-6-12(7-9-13)15(19)11-18-10-4-5-14(18)16(20)17-2/h6-9,14H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyCGSFIHQIBXTJLF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.48
Rot. Bonds6

About 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide

1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 62037784) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID62037784
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
SMILESCCOc1ccc(C(=O)CN2CCCC2C(=O)NC)cc1
InChIInChI=1S/C16H22N2O3/c1-3-21-13-8-6-12(7-9-13)15(19)11-18-10-4-5-14(18)16(20)17-2/h6-9,14H,3-5,10-11H2,1-2H3,(H,17,20)
InChIKeyCGSFIHQIBXTJLF-UHFFFAOYSA-N
XLogP1.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide
CID 62030100
1-[2-(4-fluorophenyl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62035887
2-(2,3-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 62123584
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(4-ethoxyphenyl)ethanone
CID 82752898
(2S)-N-benzoyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 22878906
(2S)-N-benzyl-1-[2-(4-methoxyphenyl)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 67621202
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-N-methylpiperidine-2-carboxamide
CID 62037634
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-(4-ethoxyphenyl)ethanone
CID 104967905
(2R)-N-cyclopropyl-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 94061711
1-[2-(4-methylphenyl)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 16770156
(2S)-1-(4-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 818098
(2S)-1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine-2-carboxylic acid
CID 93049136

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide (CID 62037784) is 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide is CCOc1ccc(C(=O)CN2CCCC2C(=O)NC)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is CGSFIHQIBXTJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-21-13-8-6-12(7-9-13)15(19)11-18-10-4-5-14(18)16(20)17-2/h6-9,14H,3-5,10-11H2,1-2H3,(H,17,20).
What are the key properties of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 62037784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).