N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C23H29N3O2 — CID 9073524

IUPACN-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H29N3O2/c1-3-25(4-2)17-20-9-6-5-8-19(20)16-24-23(28)18-11-13-21(14-12-18)26-15-7-10-22(26)27/h5-6,8-9,11-14H,3-4,7,10,15-17H2,1-2H3,(H,24,28)
InChIKeyWJWJWDSMLFVXNJ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.59
Rot. Bonds8

About N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9073524) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9073524
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCN(CC)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H29N3O2/c1-3-25(4-2)17-20-9-6-5-8-19(20)16-24-23(28)18-11-13-21(14-12-18)26-15-7-10-22(26)27/h5-6,8-9,11-14H,3-4,7,10,15-17H2,1-2H3,(H,24,28)
InChIKeyWJWJWDSMLFVXNJ-UHFFFAOYSA-N
XLogP3.59
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46480009
N-[[2-(methoxymethyl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 32604555
4-(2-oxopiperidin-1-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24516619
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8948642
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-(2-benzamidoethyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24659936
N-(2-ethylphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 7750845
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110619378
1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 17489033
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9156547
4-acetamido-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 17460581
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599

Frequently Asked Questions

What is the IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 9073524) is N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CCN(CC)Cc1ccccc1CNC(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WJWJWDSMLFVXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-25(4-2)17-20-9-6-5-8-19(20)16-24-23(28)18-11-13-21(14-12-18)26-15-7-10-22(26)27/h5-6,8-9,11-14H,3-4,7,10,15-17H2,1-2H3,(H,24,28).
What are the key properties of N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 379.50 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9073524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).