N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide

C19H22N2O3 — CID 138465642

IUPACN-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide
SMILESO=CCNC(=O)c1cccc(C#CCCCC(=O)N2CCCC2)c1
InChIInChI=1S/C19H22N2O3/c22-14-11-20-19(24)17-9-6-8-16(15-17)7-2-1-3-10-18(23)21-12-4-5-13-21/h6,8-9,14-15H,1,3-5,10-13H2,(H,20,24)
InChIKeyBEVRUGXEMYTEQW-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.76
Rot. Bonds6

About N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide

N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide (PubChem CID 138465642) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide.

Molecular Properties

Compound NameN-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide
PubChem CID138465642
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide
SMILESO=CCNC(=O)c1cccc(C#CCCCC(=O)N2CCCC2)c1
InChIInChI=1S/C19H22N2O3/c22-14-11-20-19(24)17-9-6-8-16(15-17)7-2-1-3-10-18(23)21-12-4-5-13-21/h6,8-9,14-15H,1,3-5,10-13H2,(H,20,24)
InChIKeyBEVRUGXEMYTEQW-UHFFFAOYSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 110712456
N-ethyl-3-[(Z)-6-oxo-6-pyrrolidin-1-ylhex-1-enyl]benzamide
CID 138465508
N-cyclopropyl-3-[6-(dimethylamino)-6-oxohex-1-ynyl]benzamide
CID 11150685
3-(4-carboxybut-1-ynyl)benzoic acid
CID 11031303
N-(2-cyclopentylethyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 60920511
[3-(4-hydroxybut-1-ynyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62968355
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
N-(4-amino-4-oxobutyl)-3-(3-aminoprop-1-ynyl)benzamide
CID 60865430
3-(3-hydroxyprop-1-ynyl)-N-(1-methylcyclopentyl)benzamide
CID 64687881
3-(3-hydroxyprop-1-ynyl)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 60855444
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 106279754
3-(3-aminoprop-1-ynyl)-N-(1-methylcyclobutyl)benzamide
CID 113485892

Frequently Asked Questions

What is the IUPAC name of N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide?
The IUPAC name of N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide (CID 138465642) is N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide.
What is the SMILES notation for N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide?
The canonical SMILES for N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide is O=CCNC(=O)c1cccc(C#CCCCC(=O)N2CCCC2)c1.
What is the InChIKey of N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide?
The InChIKey is BEVRUGXEMYTEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-14-11-20-19(24)17-9-6-8-16(15-17)7-2-1-3-10-18(23)21-12-4-5-13-21/h6,8-9,14-15H,1,3-5,10-13H2,(H,20,24).
What are the key properties of N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide?
N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoethyl)-3-(6-oxo-6-pyrrolidin-1-ylhex-1-ynyl)benzamide is sourced from PubChem (CID 138465642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).