N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide

C19H28N2O2 — CID 126804160

IUPACN-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CC)C(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C19H28N2O2/c1-4-17(5-2)21(6-3)19(23)16-10-7-9-15(13-16)14-20-12-8-11-18(20)22/h7,9-10,13,17H,4-6,8,11-12,14H2,1-3H3
InChIKeyFPIMCMBRJCTQCB-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.46
Rot. Bonds7

About N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide

N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide (PubChem CID 126804160) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide
PubChem CID126804160
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CC)C(=O)c1cccc(CN2CCCC2=O)c1
InChIInChI=1S/C19H28N2O2/c1-4-17(5-2)21(6-3)19(23)16-10-7-9-15(13-16)14-20-12-8-11-18(20)22/h7,9-10,13,17H,4-6,8,11-12,14H2,1-3H3
InChIKeyFPIMCMBRJCTQCB-UHFFFAOYSA-N
XLogP3.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9476686
1-[[3-(diethylaminomethyl)phenyl]methyl]pyrrolidin-2-one
CID 70502811
N-[(4-bromophenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9159383
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 110003976
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
N-[2-oxo-2-(propylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9163457
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 51933016
1-[[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidin-2-one
CID 120804113
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 87025907
3-methyl-N-(4-methylphenyl)-N-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 3340241
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9277349
[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl] 3-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 55475125

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide?
The IUPAC name of N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide (CID 126804160) is N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide.
What is the SMILES notation for N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide?
The canonical SMILES for N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide is CCC(CC)N(CC)C(=O)c1cccc(CN2CCCC2=O)c1.
What is the InChIKey of N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide?
The InChIKey is FPIMCMBRJCTQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-17(5-2)21(6-3)19(23)16-10-7-9-15(13-16)14-20-12-8-11-18(20)22/h7,9-10,13,17H,4-6,8,11-12,14H2,1-3H3.
What are the key properties of N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide?
N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide has a molecular weight of 316.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2-oxopyrrolidin-1-yl)methyl]-N-pentan-3-ylbenzamide is sourced from PubChem (CID 126804160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).