N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C21H24N2O4 — CID 95967526

IUPACN-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCOc1cc(CNC(=O)c2cccc(N3CCCC3=O)c2)ccc1OC
InChIInChI=1S/C21H24N2O4/c1-3-27-19-12-15(9-10-18(19)26-2)14-22-21(25)16-6-4-7-17(13-16)23-11-5-8-20(23)24/h4,6-7,9-10,12-13H,3,5,8,11,14H2,1-2H3,(H,22,25)
InChIKeyZGUOQHXWQPYHIP-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.15
Rot. Bonds7

About N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 95967526) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID95967526
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCCOc1cc(CNC(=O)c2cccc(N3CCCC3=O)c2)ccc1OC
InChIInChI=1S/C21H24N2O4/c1-3-27-19-12-15(9-10-18(19)26-2)14-22-21(25)16-6-4-7-17(13-16)23-11-5-8-20(23)24/h4,6-7,9-10,12-13H,3,5,8,11,14H2,1-2H3,(H,22,25)
InChIKeyZGUOQHXWQPYHIP-UHFFFAOYSA-N
XLogP3.15
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
N-[[4-(methoxymethyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 46416010
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46486165
N-[[4-(ethylcarbamoyl)phenyl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 86990016
3,4-dimethoxy-N'-[3-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 34253914
1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100748204
1-[(3,4-dimethoxyphenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 38169678
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
3-(2-oxopyrrolidin-1-yl)-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 94108280
3-chloro-5-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-propoxybenzamide
CID 39003243
N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 75414586
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-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 95967526) is N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CCOc1cc(CNC(=O)c2cccc(N3CCCC3=O)c2)ccc1OC.
What is the InChIKey of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ZGUOQHXWQPYHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-27-19-12-15(9-10-18(19)26-2)14-22-21(25)16-6-4-7-17(13-16)23-11-5-8-20(23)24/h4,6-7,9-10,12-13H,3,5,8,11,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 368.43 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxy-4-methoxyphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 95967526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).