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

C20H29N3O2 — CID 87025907

IUPACN-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(CNC(=O)c1cccc(CN2CCCC2=O)c1)CN1CCCC1
InChIInChI=1S/C20H29N3O2/c1-16(14-22-9-2-3-10-22)13-21-20(25)18-7-4-6-17(12-18)15-23-11-5-8-19(23)24/h4,6-7,12,16H,2-3,5,8-11,13-15H2,1H3,(H,21,25)
InChIKeyHKUBKZVZZNSJMI-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.27
Rot. Bonds7

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

N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (PubChem CID 87025907) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
PubChem CID87025907
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
SMILESCC(CNC(=O)c1cccc(CN2CCCC2=O)c1)CN1CCCC1
InChIInChI=1S/C20H29N3O2/c1-16(14-22-9-2-3-10-22)13-21-20(25)18-7-4-6-17(12-18)15-23-11-5-8-19(23)24/h4,6-7,12,16H,2-3,5,8-11,13-15H2,1H3,(H,21,25)
InChIKeyHKUBKZVZZNSJMI-UHFFFAOYSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzamide
CID 62992034
N-(2-benzamidoethyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 38231106
N-(3-amino-2-methylpropyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 119997738
N-[2-oxo-2-(propylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9163457
3-[(2-oxopyrrolidin-1-yl)methyl]-N-(2-phenylsulfanylethyl)benzamide
CID 9483183
N-cyclopentyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9209303
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9162465
methyl 2-[[4-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzoyl]amino]acetate
CID 37007748
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94815501
N-(2-chlorophenyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9032159
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9476686
methyl (2S)-3,3-dimethyl-2-[[3-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]butanoate
CID 56794232

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide (CID 87025907) is N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is CC(CNC(=O)c1cccc(CN2CCCC2=O)c1)CN1CCCC1.
What is the InChIKey of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
The InChIKey is HKUBKZVZZNSJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16(14-22-9-2-3-10-22)13-21-20(25)18-7-4-6-17(12-18)15-23-11-5-8-19(23)24/h4,6-7,12,16H,2-3,5,8-11,13-15H2,1H3,(H,21,25).
What are the key properties of N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide?
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide has a molecular weight of 343.47 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide is sourced from PubChem (CID 87025907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).