N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C22H29N3O3 — CID 46559235

IUPACN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)C1CC2CCC1C2
InChIInChI=1S/C22H29N3O3/c1-14(19-12-15-4-5-17(19)11-15)24-20(26)13-23-22(28)16-6-8-18(9-7-16)25-10-2-3-21(25)27/h6-9,14-15,17,19H,2-5,10-13H2,1H3,(H,23,28)(H,24,26)
InChIKeyTWTBRJAJUQRDMN-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.48
Rot. Bonds6

About N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 46559235) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID46559235
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)C1CC2CCC1C2
InChIInChI=1S/C22H29N3O3/c1-14(19-12-15-4-5-17(19)11-15)24-20(26)13-23-22(28)16-6-8-18(9-7-16)25-10-2-3-21(25)27/h6-9,14-15,17,19H,2-5,10-13H2,1H3,(H,23,28)(H,24,26)
InChIKeyTWTBRJAJUQRDMN-UHFFFAOYSA-N
XLogP2.48
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide with MolForge

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Related Compounds

N-[2-oxo-2-(pentan-2-ylamino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46700707
N-[2-[[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9451102
N-[2-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 47837776
N-[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9476611
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 51163155
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-3-methylbenzamide
CID 51163154
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27670701
N-[2-(2,3-dihydro-1H-inden-1-ylamino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51273786
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetate
CID 9385030
N-[2-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 47839065

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 46559235) is N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CC(NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1)C1CC2CCC1C2.
What is the InChIKey of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is TWTBRJAJUQRDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14(19-12-15-4-5-17(19)11-15)24-20(26)13-23-22(28)16-6-8-18(9-7-16)25-10-2-3-21(25)27/h6-9,14-15,17,19H,2-5,10-13H2,1H3,(H,23,28)(H,24,26).
What are the key properties of N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 46559235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).