N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide

C16H24N2O3 — CID 83062927

IUPACN-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2(CC)CCCN2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-4-16(9-6-10-17-16)15(19)18-12-7-8-13(21-5-2)14(11-12)20-3/h7-8,11,17H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyQPDGRDRJVFMOHZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.56
Rot. Bonds6

About N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide

N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83062927) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83062927
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCOc1ccc(NC(=O)C2(CC)CCCN2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-4-16(9-6-10-17-16)15(19)18-12-7-8-13(21-5-2)14(11-12)20-3/h7-8,11,17H,4-6,9-10H2,1-3H3,(H,18,19)
InChIKeyQPDGRDRJVFMOHZ-UHFFFAOYSA-N
XLogP2.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)-3-fluorophenyl]-2-ethylpyrrolidine-2-carboxamide
CID 83063094
N-(4-ethoxy-3-methoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120618116
N-(3-chloro-4-hydroxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107679774
(1S)-2,2-dichloro-N-(4-ethoxy-3-methoxyphenyl)-1-methylcyclopropane-1-carboxamide
CID 39911745
4-amino-N-(4-ethoxy-3-methoxyphenyl)oxane-4-carboxamide
CID 115293945
2-ethyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 83080247
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
N-(4-butylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080696
N-(4-ethoxy-3-methoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919245
N-(4,6-dimethoxypyrimidin-2-yl)-2-ethylpyrrolidine-2-carboxamide
CID 107625898
1-(aminomethyl)-N-(3-ethoxy-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 115452599
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide (CID 83062927) is N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide is CCOc1ccc(NC(=O)C2(CC)CCCN2)cc1OC.
What is the InChIKey of N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is QPDGRDRJVFMOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-16(9-6-10-17-16)15(19)18-12-7-8-13(21-5-2)14(11-12)20-3/h7-8,11,17H,4-6,9-10H2,1-3H3,(H,18,19).
What are the key properties of N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide?
N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83062927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).