N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

C16H22N2O3 — CID 110795519

IUPACN-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCc1ccc(OC)c(CCNC(=O)C2CCC(=O)N2)c1
InChIInChI=1S/C16H22N2O3/c1-3-11-4-6-14(21-2)12(10-11)8-9-17-16(20)13-5-7-15(19)18-13/h4,6,10,13H,3,5,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQBYXITGICLJICQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.19
Rot. Bonds6

About N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide

N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 110795519) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID110795519
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCc1ccc(OC)c(CCNC(=O)C2CCC(=O)N2)c1
InChIInChI=1S/C16H22N2O3/c1-3-11-4-6-14(21-2)12(10-11)8-9-17-16(20)13-5-7-15(19)18-13/h4,6,10,13H,3,5,7-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyQBYXITGICLJICQ-UHFFFAOYSA-N
XLogP1.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793891
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
N-[(3-acetamido-4-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794394
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110794314
1-acetyl-N-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 110795515
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxomorpholine-3-carboxamide
CID 110696737
(2R)-N-[2-(4-methoxyphenyl)ethyl]-7-oxoazepane-2-carboxamide
CID 124626441
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110788777
methyl 4-[2-[[(2S)-7-oxoazepane-2-carbonyl]amino]ethyl]benzoate
CID 124626533
N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445207

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide (CID 110795519) is N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is CCc1ccc(OC)c(CCNC(=O)C2CCC(=O)N2)c1.
What is the InChIKey of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is QBYXITGICLJICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-11-4-6-14(21-2)12(10-11)8-9-17-16(20)13-5-7-15(19)18-13/h4,6,10,13H,3,5,7-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide?
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-2-methoxyphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 110795519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).