N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

C19H21N3O5 — CID 17232929

IUPACN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1OC
InChIInChI=1S/C19H21N3O5/c1-25-16-6-5-13(8-17(16)26-2)10-20-21-19(24)14-9-18(23)22(11-14)12-15-4-3-7-27-15/h3-8,10,14H,9,11-12H2,1-2H3,(H,21,24)/b20-10+
InChIKeyLJXXHHSQZQEYSI-KEBDBYFISA-N
MW371.39 g/mol
LogP1.80
Rot. Bonds7

About N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide

N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17232929) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17232929
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1OC
InChIInChI=1S/C19H21N3O5/c1-25-16-6-5-13(8-17(16)26-2)10-20-21-19(24)14-9-18(23)22(11-14)12-15-4-3-7-27-15/h3-8,10,14H,9,11-12H2,1-2H3,(H,21,24)/b20-10+
InChIKeyLJXXHHSQZQEYSI-KEBDBYFISA-N
XLogP1.80
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-ylmethyl)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
CID 135962711
1-(furan-2-ylmethyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2998321
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 135962710
1-(furan-2-ylmethyl)-N'-[2-(2-methoxyphenoxy)acetyl]-5-oxopyrrolidine-3-carbohydrazide
CID 17232632
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094042
N-(4-carbamoylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 17390517
(3-fluoro-4-methoxyphenyl)methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7576658
(3R)-N-[2-(3,4-dimethylphenyl)sulfanylethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51968722
N-cyclopentyl-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47100703
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide (CID 17232929) is N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is COc1ccc(/C=N/NC(=O)C2CC(=O)N(Cc3ccco3)C2)cc1OC.
What is the InChIKey of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LJXXHHSQZQEYSI-KEBDBYFISA-N. The full InChI is InChI=1S/C19H21N3O5/c1-25-16-6-5-13(8-17(16)26-2)10-20-21-19(24)14-9-18(23)22(11-14)12-15-4-3-7-27-15/h3-8,10,14H,9,11-12H2,1-2H3,(H,21,24)/b20-10+.
What are the key properties of N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide?
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 371.39 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17232929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).