N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide

C15H18N2O5 — CID 51103040

IUPACN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)c(OC)c1)C1CC(=O)NC1=O
InChIInChI=1S/C15H18N2O5/c1-4-17(10-8-13(18)16-14(10)19)15(20)9-5-6-11(21-2)12(7-9)22-3/h5-7,10H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyGNHSTRHTDGYVPK-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.58
Rot. Bonds5

About N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide

N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide (PubChem CID 51103040) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide
PubChem CID51103040
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC NameN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide
SMILESCCN(C(=O)c1ccc(OC)c(OC)c1)C1CC(=O)NC1=O
InChIInChI=1S/C15H18N2O5/c1-4-17(10-8-13(18)16-14(10)19)15(20)9-5-6-11(21-2)12(7-9)22-3/h5-7,10H,4,8H2,1-3H3,(H,16,18,19)
InChIKeyGNHSTRHTDGYVPK-UHFFFAOYSA-N
XLogP0.58
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethylprop-2-enamide
CID 98441288
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-3-methoxy-4-methylbenzamide
CID 95288277
(E)-N-[(3R)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 52514087
N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-2-phenoxyacetamide
CID 51103037
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-4-methoxybenzamide
CID 95306595
2-(4-cyano-2-methoxyphenoxy)-N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]acetamide
CID 97046517
N-cyclopentyl-N-ethyl-3-methoxy-4-methylbenzamide
CID 134060958
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
N-(2,2-dimethoxyethyl)-N-[1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-3,4-dimethoxybenzamide
CID 23860670
4-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(oxan-4-yl)benzamide
CID 119071766
N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-2-methyl-6-phenylpyridine-3-carboxamide
CID 95292001

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide (CID 51103040) is N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide is CCN(C(=O)c1ccc(OC)c(OC)c1)C1CC(=O)NC1=O.
What is the InChIKey of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide?
The InChIKey is GNHSTRHTDGYVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-4-17(10-8-13(18)16-14(10)19)15(20)9-5-6-11(21-2)12(7-9)22-3/h5-7,10H,4,8H2,1-3H3,(H,16,18,19).
What are the key properties of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide?
N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide has a molecular weight of 306.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3,4-dimethoxybenzamide is sourced from PubChem (CID 51103040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).