1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

C16H22N2O3 — CID 3153845

IUPAC1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2ccc(OCC)cc2)C1
InChIInChI=1S/C16H22N2O3/c1-3-9-17-16(20)12-10-15(19)18(11-12)13-5-7-14(8-6-13)21-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyYJPXADIQIKIXDF-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.96
Rot. Bonds6

About 1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 3153845) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID3153845
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)C1CC(=O)N(c2ccc(OCC)cc2)C1
InChIInChI=1S/C16H22N2O3/c1-3-9-17-16(20)12-10-15(19)18(11-12)13-5-7-14(8-6-13)21-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyYJPXADIQIKIXDF-UHFFFAOYSA-N
XLogP1.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Ethoxyphenyl)-3-oxobutanamide
CID 61053
Sembragiline
CID 10246762
1-(4-Methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2736758
4-amino-N-[4-(benzyloxy)phenyl]butanamide
CID 22692237
Propetamide
CID 68937
1-(((4-Methoxyphenyl)amino)methyl)pyrrolidine-2,5-dione
CID 748195
Acetamide, N-(4-butoxyphenyl)-
CID 90165
1-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 2955360
N-(2-furylmethyl)-1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2981070
2-methyl-N-(4-phenoxyphenyl)propanamide
CID 874249
2,5-Pyrrolidinedione, 1-(4-methoxyphenyl)-3-(1-piperidinyl)-
CID 2732613
N-[4-(benzyloxy)phenyl]-4-(dimethylamino)butanamide
CID 24901610

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 3153845) is 1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)C1CC(=O)N(c2ccc(OCC)cc2)C1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is YJPXADIQIKIXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-9-17-16(20)12-10-15(19)18(11-12)13-5-7-14(8-6-13)21-4-2/h5-8,12H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of 1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 3153845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).