N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide

C22H25N3O3 — CID 8826557

IUPACN-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
SMILESC/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H25N3O3/c1-15(2)28-20-11-9-17(10-12-20)22(27)24-23-16(3)18-6-4-7-19(14-18)25-13-5-8-21(25)26/h4,6-7,9-12,14-15H,5,8,13H2,1-3H3,(H,24,27)/b23-16-
InChIKeyZUAKBHFSGYHMIC-KQWNVCNZSA-N
MW379.46 g/mol
LogP3.75
Rot. Bonds6

About N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide

N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide (PubChem CID 8826557) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
PubChem CID8826557
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide
SMILESC/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C22H25N3O3/c1-15(2)28-20-11-9-17(10-12-20)22(27)24-23-16(3)18-6-4-7-19(14-18)25-13-5-8-21(25)26/h4,6-7,9-12,14-15H,5,8,13H2,1-3H3,(H,24,27)/b23-16-
InChIKeyZUAKBHFSGYHMIC-KQWNVCNZSA-N
XLogP3.75
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8826078
3-hydroxy-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]benzamide
CID 8860986
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7687596
3-amino-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-5-phenylthiophene-2-carboxamide
CID 8862793
N-[(Z)-1-phenylethylideneamino]-4-propan-2-yloxybenzamide
CID 9215513
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-propan-2-yloxybenzamide
CID 9215676
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
3-(2-oxopyrrolidin-1-yl)-N-propan-2-yloxybenzamide
CID 91545272
2-(2-oxoazepan-1-yl)-N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8862777
2-[3-[(Z)-C-methyl-N-[(4-propan-2-yloxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9215286
N-[1-(4-methoxyphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 132651870
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide?
The IUPAC name of N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide (CID 8826557) is N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide is C/C(=N/NC(=O)c1ccc(OC(C)C)cc1)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide?
The InChIKey is ZUAKBHFSGYHMIC-KQWNVCNZSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)28-20-11-9-17(10-12-20)22(27)24-23-16(3)18-6-4-7-19(14-18)25-13-5-8-21(25)26/h4,6-7,9-12,14-15H,5,8,13H2,1-3H3,(H,24,27)/b23-16-.
What are the key properties of N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide?
N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide has a molecular weight of 379.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[3-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]-4-propan-2-yloxybenzamide is sourced from PubChem (CID 8826557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).