N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

C24H28N4O2 — CID 55494793

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1N1CCN(CC)CC1
InChIInChI=1S/C24H28N4O2/c1-3-26-14-16-27(17-15-26)22-11-7-6-10-21(22)25-23(29)12-13-28-18(2)19-8-4-5-9-20(19)24(28)30/h4-11H,2-3,12-17H2,1H3,(H,25,29)
InChIKeyMDCKLUKEZXUILM-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.28
Rot. Bonds6

About N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (PubChem CID 55494793) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
PubChem CID55494793
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1N1CCN(CC)CC1
InChIInChI=1S/C24H28N4O2/c1-3-26-14-16-27(17-15-26)22-11-7-6-10-21(22)25-23(29)12-13-28-18(2)19-8-4-5-9-20(19)24(28)30/h4-11H,2-3,12-17H2,1H3,(H,25,29)
InChIKeyMDCKLUKEZXUILM-UHFFFAOYSA-N
XLogP3.28
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 51314267
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 55762637
N-(2,3-dimethylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 17435886
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16594348
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 47017047
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901029
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
N-(2,4-dimethoxyphenyl)-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16591872
N-[2-(azepan-1-yl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 38282948
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 2714752

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide (CID 55494793) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1N1CCN(CC)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
The InChIKey is MDCKLUKEZXUILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-26-14-16-27(17-15-26)22-11-7-6-10-21(22)25-23(29)12-13-28-18(2)19-8-4-5-9-20(19)24(28)30/h4-11H,2-3,12-17H2,1H3,(H,25,29).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide has a molecular weight of 404.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide is sourced from PubChem (CID 55494793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).