N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C18H25N3O3 — CID 46700707

IUPACN-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCCC(C)NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-3-5-13(2)20-16(22)12-19-18(24)14-7-9-15(10-8-14)21-11-4-6-17(21)23/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyDFRFZLMDDSOTHL-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.85
Rot. Bonds7

About N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 46700707) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID46700707
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCCC(C)NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-3-5-13(2)20-16(22)12-19-18(24)14-7-9-15(10-8-14)21-11-4-6-17(21)23/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,24)(H,20,22)
InChIKeyDFRFZLMDDSOTHL-UHFFFAOYSA-N
XLogP1.85
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 47837776
N-[2-[2-[[(2R)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9368233
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9476611
methyl (2R)-4-methylsulfanyl-2-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]butanoate
CID 9427205
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46559235
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 8751476
N-(2-methylpropyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 18106043
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
N-[2-[3-(4-ethylpiperazin-1-yl)propylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55660476
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 46700707) is N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCCC(C)NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is DFRFZLMDDSOTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-5-13(2)20-16(22)12-19-18(24)14-7-9-15(10-8-14)21-11-4-6-17(21)23/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,24)(H,20,22).
What are the key properties of N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 331.42 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 46700707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).