N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide

C25H34N4O2 — CID 55432044

IUPACN-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(C)C(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C25H34N4O2/c1-5-21-8-6-7-9-22(21)26-24(30)17-28-12-14-29(15-13-28)20(4)25(31)27-23-16-18(2)10-11-19(23)3/h6-11,16,20H,5,12-15,17H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyGHMLMAJZRMZGPG-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.45
Rot. Bonds7

About N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide

N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 55432044) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID55432044
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(C)C(=O)Nc2cc(C)ccc2C)CC1
InChIInChI=1S/C25H34N4O2/c1-5-21-8-6-7-9-22(21)26-24(30)17-28-12-14-29(15-13-28)20(4)25(31)27-23-16-18(2)10-11-19(23)3/h6-11,16,20H,5,12-15,17H2,1-4H3,(H,26,30)(H,27,31)
InChIKeyGHMLMAJZRMZGPG-UHFFFAOYSA-N
XLogP3.45
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,4-dimethylphenyl)propanamide
CID 51334142
N-(2,5-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanamide
CID 45281660
(2S)-N-benzyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8773224
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-di(propan-2-yl)propanamide
CID 55431745
(2S)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 8795096
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78815800
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
4-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]-N-ethylpiperazine-1-carboxamide
CID 95320635
(2S)-2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 30102769

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 55432044) is N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is CCc1ccccc1NC(=O)CN1CCN(C(C)C(=O)Nc2cc(C)ccc2C)CC1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is GHMLMAJZRMZGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-5-21-8-6-7-9-22(21)26-24(30)17-28-12-14-29(15-13-28)20(4)25(31)27-23-16-18(2)10-11-19(23)3/h6-11,16,20H,5,12-15,17H2,1-4H3,(H,26,30)(H,27,31).
What are the key properties of N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 422.57 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55432044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).