N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

C21H23N3O3 — CID 38231106

IUPACN-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCCNC(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H23N3O3/c25-19-10-5-13-24(19)15-16-6-4-9-18(14-16)21(27)23-12-11-22-20(26)17-7-2-1-3-8-17/h1-4,6-9,14H,5,10-13,15H2,(H,22,26)(H,23,27)
InChIKeyVSJGTRWXGUZMOY-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.97
Rot. Bonds7

About N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide

N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 38231106) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID38231106
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESO=C(NCCNC(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1
InChIInChI=1S/C21H23N3O3/c25-19-10-5-13-24(19)15-16-6-4-9-18(14-16)21(27)23-12-11-22-20(26)17-7-2-1-3-8-17/h1-4,6-9,14H,5,10-13,15H2,(H,22,26)(H,23,27)
InChIKeyVSJGTRWXGUZMOY-UHFFFAOYSA-N
XLogP1.97
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-phenylsulfanylethyl)benzamide
CID 9483183
N-[2-oxo-2-(propylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9163457
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
(2S)-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]-3-phenylpropanoic acid
CID 45339810
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 17474559
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 55750325
methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate
CID 37007748
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
N-(2-bromophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 36662906
2-methyl-N'-[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]benzohydrazide
CID 9224313
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 87025907
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 38231106) is N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is O=C(NCCNC(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is VSJGTRWXGUZMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-19-10-5-13-24(19)15-16-6-4-9-18(14-16)21(27)23-12-11-22-20(26)17-7-2-1-3-8-17/h1-4,6-9,14H,5,10-13,15H2,(H,22,26)(H,23,27).
What are the key properties of N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 365.43 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 38231106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).