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

C23H26N4O2 — CID 51314267

IUPACN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1N1CCN(CC)CC1
InChIInChI=1S/C23H26N4O2/c1-3-25-12-14-26(15-13-25)21-11-7-6-10-20(21)24-22(28)16-27-17(2)18-8-4-5-9-19(18)23(27)29/h4-11H,2-3,12-16H2,1H3,(H,24,28)
InChIKeyBKFNINNGXSTKLS-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.89
Rot. Bonds5

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

N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (PubChem CID 51314267) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
PubChem CID51314267
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
SMILESC=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1N1CCN(CC)CC1
InChIInChI=1S/C23H26N4O2/c1-3-25-12-14-26(15-13-25)21-11-7-6-10-20(21)24-22(28)16-27-17(2)18-8-4-5-9-19(18)23(27)29/h4-11H,2-3,12-16H2,1H3,(H,24,28)
InChIKeyBKFNINNGXSTKLS-UHFFFAOYSA-N
XLogP2.89
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 55494793
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetamide
CID 24586510
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(methylamino)acetamide
CID 119901038
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 17482833
4-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]butanamide;trihydrochloride
CID 119901069
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]acetamide
CID 55980936
N-[2-(4-ethylpiperazin-1-yl)phenyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901029
2-(benzenesulfonyl)-N-[2-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 3889301
2-(1-methylidene-3-oxoisoindol-2-yl)-N-[2-(2-phenylethylamino)phenyl]acetamide
CID 75455406
3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 119954238
N-ethyl-2-[4-[2-(1-methylidene-3-oxoisoindol-2-yl)acetyl]piperazin-1-yl]acetamide
CID 55566914
N-[4-(ethylsulfonylamino)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55960851

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The IUPAC name of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide (CID 51314267) is N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1N1CCN(CC)CC1.
What is the InChIKey of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
The InChIKey is BKFNINNGXSTKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-3-25-12-14-26(15-13-25)21-11-7-6-10-20(21)24-22(28)16-27-17(2)18-8-4-5-9-19(18)23(27)29/h4-11H,2-3,12-16H2,1H3,(H,24,28).
What are the key properties of N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide?
N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.89, 5 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]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide is sourced from PubChem (CID 51314267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).