1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

C18H26N2O3 — CID 46363647

IUPAC1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCc1ccccc1N1C(=O)CCC1(C)C(=O)NCCCOC
InChIInChI=1S/C18H26N2O3/c1-4-14-8-5-6-9-15(14)20-16(21)10-11-18(20,2)17(22)19-12-7-13-23-3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,19,22)
InChIKeyUATOGOCAJRJHDZ-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.29
Rot. Bonds7

About 1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide

1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 46363647) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID46363647
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCCc1ccccc1N1C(=O)CCC1(C)C(=O)NCCCOC
InChIInChI=1S/C18H26N2O3/c1-4-14-8-5-6-9-15(14)20-16(21)10-11-18(20,2)17(22)19-12-7-13-23-3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,19,22)
InChIKeyUATOGOCAJRJHDZ-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethoxypropyl)-1-(2-methoxyphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363632
(2S)-1-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730947
1-(3,5-dimethoxyphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363645
(2S)-N-(3-methoxypropyl)-2-methyl-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 92730949
(2R)-1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731000
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730973
(2R)-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731014
1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363706
(2S)-1-(2,5-diethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731028
(2R)-1-(4-ethoxyphenyl)-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730993
(2R)-N-(2-methoxyethyl)-2-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 92731008
1-(5-chloro-2,4-dimethoxyphenyl)-2-methyl-5-oxo-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
CID 50808080

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 46363647) is 1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is CCc1ccccc1N1C(=O)CCC1(C)C(=O)NCCCOC.
What is the InChIKey of 1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UATOGOCAJRJHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-14-8-5-6-9-15(14)20-16(21)10-11-18(20,2)17(22)19-12-7-13-23-3/h5-6,8-9H,4,7,10-13H2,1-3H3,(H,19,22).
What are the key properties of 1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide?
1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46363647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).