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

C24H31N3O2 — CID 8948642

IUPACN-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H31N3O2/c1-3-26(4-2)18-21-9-7-20(8-10-21)17-25-23(28)16-19-11-13-22(14-12-19)27-15-5-6-24(27)29/h7-14H,3-6,15-18H2,1-2H3,(H,25,28)
InChIKeyDDACDIJLXJZVRN-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.51
Rot. Bonds9

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

N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 8948642) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID8948642
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCN(CC)Cc1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C24H31N3O2/c1-3-26(4-2)18-21-9-7-20(8-10-21)17-25-23(28)16-19-11-13-22(14-12-19)27-15-5-6-24(27)29/h7-14H,3-6,15-18H2,1-2H3,(H,25,28)
InChIKeyDDACDIJLXJZVRN-UHFFFAOYSA-N
XLogP3.51
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(diethylaminomethyl)phenyl]methyl]-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 17489033
1-[[4-(diethylaminomethyl)phenyl]methyl]-2-methyl-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111413863
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2-[(R)-ethylsulfinyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 97228046
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9073524
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 134034707

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 8948642) is N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CCN(CC)Cc1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is DDACDIJLXJZVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-26(4-2)18-21-9-7-20(8-10-21)17-25-23(28)16-19-11-13-22(14-12-19)27-15-5-6-24(27)29/h7-14H,3-6,15-18H2,1-2H3,(H,25,28).
What are the key properties of N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 8948642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).