2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

C22H27N3O4 — CID 7494427

IUPAC2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H27N3O4/c1-3-29-19-10-6-4-8-17(19)22(27)23-16-21(26)25-14-12-24(13-15-25)18-9-5-7-11-20(18)28-2/h4-11H,3,12-16H2,1-2H3,(H,23,27)
InChIKeyGPVYIVOUCSKABT-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.17
Rot. Bonds7

About 2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide

2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 7494427) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID7494427
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C22H27N3O4/c1-3-29-19-10-6-4-8-17(19)22(27)23-16-21(26)25-14-12-24(13-15-25)18-9-5-7-11-20(18)28-2/h4-11H,3,12-16H2,1-2H3,(H,23,27)
InChIKeyGPVYIVOUCSKABT-UHFFFAOYSA-N
XLogP2.17
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 13318490
4-ethoxy-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9415430
4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9335318
ethyl 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-2-oxoacetate
CID 113097878
2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 18138965
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-(2-methylphenyl)-2-oxoacetamide
CID 113097868
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 29260837
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
3,4-dichloro-N-[2-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 35514698
2-(butan-2-ylamino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 108993359

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 7494427) is 2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)N1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is GPVYIVOUCSKABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-29-19-10-6-4-8-17(19)22(27)23-16-21(26)25-14-12-24(13-15-25)18-9-5-7-11-20(18)28-2/h4-11H,3,12-16H2,1-2H3,(H,23,27).
What are the key properties of 2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide?
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 7494427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).