N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide

C20H25N3O2 — CID 167022079

IUPACN-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide
SMILESC=CCCC(C/C(=N\C=C)NC(=O)c1ccccc1)N1CCCC1=O
InChIInChI=1S/C20H25N3O2/c1-3-5-12-17(23-14-9-13-19(23)24)15-18(21-4-2)22-20(25)16-10-7-6-8-11-16/h3-4,6-8,10-11,17H,1-2,5,9,12-15H2,(H,21,22,25)
InChIKeyHXIMPWHRMICJBL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.31
Rot. Bonds8

About N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide

N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide (PubChem CID 167022079) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide.

Molecular Properties

Compound NameN-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide
PubChem CID167022079
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide
SMILESC=CCCC(C/C(=N\C=C)NC(=O)c1ccccc1)N1CCCC1=O
InChIInChI=1S/C20H25N3O2/c1-3-5-12-17(23-14-9-13-19(23)24)15-18(21-4-2)22-20(25)16-10-7-6-8-11-16/h3-4,6-8,10-11,17H,1-2,5,9,12-15H2,(H,21,22,25)
InChIKeyHXIMPWHRMICJBL-UHFFFAOYSA-N
XLogP3.31
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[N-ethenyl-C-[(Z)-2-propan-2-ylhept-4-enyl]carbonimidoyl]benzamide
CID 167022049
N-[(2R)-3-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 97039368
1-hex-5-en-3-ylpyrrolidin-2-one
CID 66716495
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
4-(2-oxopyrrolidin-1-yl)-N-(1-phenylpropylideneamino)benzamide
CID 790502
2-(2-oxopyrrolidin-1-yl)pent-4-enamide
CID 70440707
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
(2-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883
1-benzyl-2-methyl-3-[3-(2-oxopyrrolidin-1-yl)pentyl]guanidine
CID 110954324
N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]-2-phenoxyacetamide
CID 52869830

Frequently Asked Questions

What is the IUPAC name of N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide?
The IUPAC name of N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide (CID 167022079) is N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide.
What is the SMILES notation for N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide?
The canonical SMILES for N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide is C=CCCC(C/C(=N\C=C)NC(=O)c1ccccc1)N1CCCC1=O.
What is the InChIKey of N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide?
The InChIKey is HXIMPWHRMICJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-5-12-17(23-14-9-13-19(23)24)15-18(21-4-2)22-20(25)16-10-7-6-8-11-16/h3-4,6-8,10-11,17H,1-2,5,9,12-15H2,(H,21,22,25).
What are the key properties of N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide?
N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide has a molecular weight of 339.44 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N-ethenyl-C-[2-(2-oxopyrrolidin-1-yl)hex-5-enyl]carbonimidoyl]benzamide is sourced from PubChem (CID 167022079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).