N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide

C19H24N4O4 — CID 110816183

IUPACN-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
SMILESO=C1CCC(C(=O)N2CCCN(C(=O)CNC(=O)c3ccccc3)CC2)N1
InChIInChI=1S/C19H24N4O4/c24-16-8-7-15(21-16)19(27)23-10-4-9-22(11-12-23)17(25)13-20-18(26)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,26)(H,21,24)
InChIKeyGPKDGWLEOFVIGO-UHFFFAOYSA-N
MW372.43 g/mol
LogP-0.24
Rot. Bonds4

About N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide

N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide (PubChem CID 110816183) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
PubChem CID110816183
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC NameN-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
SMILESO=C1CCC(C(=O)N2CCCN(C(=O)CNC(=O)c3ccccc3)CC2)N1
InChIInChI=1S/C19H24N4O4/c24-16-8-7-15(21-16)19(27)23-10-4-9-22(11-12-23)17(25)13-20-18(26)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,26)(H,21,24)
InChIKeyGPKDGWLEOFVIGO-UHFFFAOYSA-N
XLogP-0.24
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808253
N-[2-oxo-2-[4-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 108544985
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
N-[2-oxo-2-[4-(oxolane-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide
CID 110807089
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
5-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808313
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
4-(2-benzamidoacetyl)-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 110813314
N-[2-(4-ethylsulfonyl-1,4-diazepan-1-yl)-2-oxoethyl]benzamide
CID 110810039
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide (CID 110816183) is N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide is O=C1CCC(C(=O)N2CCCN(C(=O)CNC(=O)c3ccccc3)CC2)N1.
What is the InChIKey of N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide?
The InChIKey is GPKDGWLEOFVIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c24-16-8-7-15(21-16)19(27)23-10-4-9-22(11-12-23)17(25)13-20-18(26)14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H,20,26)(H,21,24).
What are the key properties of N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide?
N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide has a molecular weight of 372.43 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[4-(5-oxopyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethyl]benzamide is sourced from PubChem (CID 110816183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).