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

C21H24N2O3 — CID 27822823

IUPACN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-3-26-19-12-6-16(7-13-19)15-22(2)21(25)17-8-10-18(11-9-17)23-14-4-5-20(23)24/h6-13H,3-5,14-15H2,1-2H3
InChIKeyAPWZEFPLVDJTFF-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.48
Rot. Bonds6

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

N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 27822823) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID27822823
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCOc1ccc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-3-26-19-12-6-16(7-13-19)15-22(2)21(25)17-8-10-18(11-9-17)23-14-4-5-20(23)24/h6-13H,3-5,14-15H2,1-2H3
InChIKeyAPWZEFPLVDJTFF-UHFFFAOYSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51240858
N-[2-(4-methoxyphenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 31285313
N-[2-(4-bromophenoxy)ethyl]-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 24514957
N-[(3-chlorophenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27795184
N-[(4-ethoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 78780692
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2-oxopiperidin-1-yl)benzamide
CID 18116240
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 78770402
N-benzyl-N-ethyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 110295271
N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27666071
N-methyl-N-[2-(4-methylphenoxy)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 27447938
1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 7888336

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide (CID 27822823) is N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide is CCOc1ccc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is APWZEFPLVDJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-26-19-12-6-16(7-13-19)15-22(2)21(25)17-8-10-18(11-9-17)23-14-4-5-20(23)24/h6-13H,3-5,14-15H2,1-2H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 27822823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).