2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide

C24H30N4O3 — CID 30885469

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NCCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C24H30N4O3/c1-3-30-23-16-20(17-25)7-8-22(23)31-18-24(29)26-9-10-27-11-13-28(14-12-27)21-6-4-5-19(2)15-21/h4-8,15-16H,3,9-14,18H2,1-2H3,(H,26,29)
InChIKeySBTBKZOOVNROKJ-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.58
Rot. Bonds9

About 2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide (PubChem CID 30885469) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
PubChem CID30885469
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NCCN1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C24H30N4O3/c1-3-30-23-16-20(17-25)7-8-22(23)31-18-24(29)26-9-10-27-11-13-28(14-12-27)21-6-4-5-19(2)15-21/h4-8,15-16H,3,9-14,18H2,1-2H3,(H,26,29)
InChIKeySBTBKZOOVNROKJ-UHFFFAOYSA-N
XLogP2.58
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 46410504
2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 30532507
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46522155
2-(4-ethoxyphenyl)-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]acetamide
CID 34246704
2-(2-cyanophenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]propanamide
CID 46462316
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-2-(4-propanoylphenoxy)acetamide
CID 46439997
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]prop-2-enamide
CID 30900318
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 34250927
2-(4-cyano-2-ethoxyphenoxy)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 46417263
N-(4-ethoxyphenyl)-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109029408
4-[[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45304579
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide (CID 30885469) is 2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide is CCOc1cc(C#N)ccc1OCC(=O)NCCN1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is SBTBKZOOVNROKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-3-30-23-16-20(17-25)7-8-22(23)31-18-24(29)26-9-10-27-11-13-28(14-12-27)21-6-4-5-19(2)15-21/h4-8,15-16H,3,9-14,18H2,1-2H3,(H,26,29).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 422.53 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 30885469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).