N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

C19H28N2O3 — CID 46363621

IUPACN-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCOCCCNC(=O)C1(C)CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C19H28N2O3/c1-4-24-13-5-12-20-18(23)19(3)11-10-17(22)21(19)14-16-8-6-15(2)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,20,23)
InChIKeyKHDOMJFMOAOBMY-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.42
Rot. Bonds8

About N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide

N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 46363621) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID46363621
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
SMILESCCOCCCNC(=O)C1(C)CCC(=O)N1Cc1ccc(C)cc1
InChIInChI=1S/C19H28N2O3/c1-4-24-13-5-12-20-18(23)19(3)11-10-17(22)21(19)14-16-8-6-15(2)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,20,23)
InChIKeyKHDOMJFMOAOBMY-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.42
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)-2-methyl-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 46363610
(2S)-1-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92731044
(2R)-N-(2-methoxyethyl)-2-methyl-1-[2-(4-methylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 92731010
N-(2-methoxyethyl)-2-methyl-1-[(3-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363694
N-(3-ethoxypropyl)-1-(2-methoxyphenyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 46363632
1-benzyl-N-butyl-2-methyl-6-oxopiperidine-2-carboxamide
CID 15312227
(2S)-1-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730947
N-cyclooctyl-1-[(4-ethoxyphenyl)methyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 20968052
1-[2-(4-ethoxyphenyl)ethyl]-2-methyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 46363730
(2S)-1-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 92730973
N-(3-ethoxypropyl)-N'-[(4-methylphenyl)methyl]oxamide
CID 2209969
1-N-(3-ethoxypropyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53011210

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide (CID 46363621) is N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is CCOCCCNC(=O)C1(C)CCC(=O)N1Cc1ccc(C)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KHDOMJFMOAOBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-24-13-5-12-20-18(23)19(3)11-10-17(22)21(19)14-16-8-6-15(2)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,20,23).
What are the key properties of N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide?
N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 46363621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).