(4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide

C20H21N3O4 — CID 22223601

IUPAC(4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCO/N=C1\CC(C(N)=O)N(C(=O)c2ccc(-c3ccccc3OC)cc2)C1
InChIInChI=1S/C20H21N3O4/c1-26-18-6-4-3-5-16(18)13-7-9-14(10-8-13)20(25)23-12-15(22-27-2)11-17(23)19(21)24/h3-10,17H,11-12H2,1-2H3,(H2,21,24)/b22-15+
InChIKeyHFEVBHWSDZPBBU-PXLXIMEGSA-N
MW367.41 g/mol
LogP2.06
Rot. Bonds5

About (4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide

(4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide (PubChem CID 22223601) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is (4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
PubChem CID22223601
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name(4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
SMILESCO/N=C1\CC(C(N)=O)N(C(=O)c2ccc(-c3ccccc3OC)cc2)C1
InChIInChI=1S/C20H21N3O4/c1-26-18-6-4-3-5-16(18)13-7-9-14(10-8-13)20(25)23-12-15(22-27-2)11-17(23)19(21)24/h3-10,17H,11-12H2,1-2H3,(H2,21,24)/b22-15+
InChIKeyHFEVBHWSDZPBBU-PXLXIMEGSA-N
XLogP2.06
TPSA94.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,4E)-N'-hydroxy-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboximidamide
CID 86614668
(2S,4Z)-N-[2-hydroxy-2-(4-hydroxyphenyl)ethyl]-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 10164145
2-[(2S,4Z)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidin-2-yl]acetamide
CID 140538982
[(2S,4Z)-2-(aminomethyl)-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 58585497
(2S)-N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 131725579
[(2S,4Z)-2-(2-hydroxyethyl)-4-methoxyiminopyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 58585499
N-[(2S)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 87886728
(2S)-N-[(2R)-2-hydroxy-2-phenylethyl]-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidine-2-carboxamide
CID 131725575
N-(2-amino-2-oxoethyl)-2-[(2S)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidin-2-yl]acetamide
CID 139969950
(2S)-N-benzyl-N-(2-hydroxyethyl)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 131725606
(4E)-N-(4-hydroxycyclohexyl)-4-methoxyimino-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 10181428
2-[(2S)-4-methoxyimino-1-[4-(2-methylphenyl)benzoyl]pyrrolidin-2-yl]-N-methylacetamide
CID 139969842

Frequently Asked Questions

What is the IUPAC name of (4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide (CID 22223601) is (4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide is CO/N=C1\CC(C(N)=O)N(C(=O)c2ccc(-c3ccccc3OC)cc2)C1.
What is the InChIKey of (4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
The InChIKey is HFEVBHWSDZPBBU-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-26-18-6-4-3-5-16(18)13-7-9-14(10-8-13)20(25)23-12-15(22-27-2)11-17(23)19(21)24/h3-10,17H,11-12H2,1-2H3,(H2,21,24)/b22-15+.
What are the key properties of (4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide?
(4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-methoxyimino-1-[4-(2-methoxyphenyl)benzoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 22223601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).