N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C18H25N3O5 — CID 110630800

IUPACN-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCCCNC(C)=O)CC2=O)cc1OC
InChIInChI=1S/C18H25N3O5/c1-12(22)19-7-4-8-20-18(24)13-9-17(23)21(11-13)14-5-6-15(25-2)16(10-14)26-3/h5-6,10,13H,4,7-9,11H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyNWDODBGUZMKPKA-UHFFFAOYSA-N
MW363.41 g/mol
LogP0.70
Rot. Bonds8

About N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 110630800) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID110630800
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCCCNC(C)=O)CC2=O)cc1OC
InChIInChI=1S/C18H25N3O5/c1-12(22)19-7-4-8-20-18(24)13-9-17(23)21(11-13)14-5-6-15(25-2)16(10-14)26-3/h5-6,10,13H,4,7-9,11H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyNWDODBGUZMKPKA-UHFFFAOYSA-N
XLogP0.70
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(4,4-dimethylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110421719
1-(3,4-dimethoxyphenyl)-N-[2-(2-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 110614916
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 110620533
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46586700
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
(3S)-N-(2-acetamidoethyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 30595729
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 46433351
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 55583210
1-(3,4-dimethoxyphenyl)-N-(2-methyl-2-piperidin-1-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 55647597
N-butyl-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46556786
(3R)-N-[3-(dimethylamino)propyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9375419

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 110630800) is N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCCCNC(C)=O)CC2=O)cc1OC.
What is the InChIKey of N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NWDODBGUZMKPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-12(22)19-7-4-8-20-18(24)13-9-17(23)21(11-13)14-5-6-15(25-2)16(10-14)26-3/h5-6,10,13H,4,7-9,11H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 363.41 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 110630800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).