N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C24H29N5O2 — CID 32761024

IUPACN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)c(C)c2)CC1
InChIInChI=1S/C24H29N5O2/c1-4-28-11-13-29(14-12-28)18-9-10-21(17(2)15-18)25-23(30)16-22-19-7-5-6-8-20(19)24(31)27(3)26-22/h5-10,15H,4,11-14,16H2,1-3H3,(H,25,30)
InChIKeyARSOKGHDQPFPJA-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.57
Rot. Bonds5

About N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 32761024) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID32761024
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCCN1CCN(c2ccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)c(C)c2)CC1
InChIInChI=1S/C24H29N5O2/c1-4-28-11-13-29(14-12-28)18-9-10-21(17(2)15-18)25-23(30)16-22-19-7-5-6-8-20(19)24(31)27(3)26-22/h5-10,15H,4,11-14,16H2,1-3H3,(H,25,30)
InChIKeyARSOKGHDQPFPJA-UHFFFAOYSA-N
XLogP2.57
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-fluorophenyl)acetamide
CID 24571040
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55457066
2-(2,6-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 34193676
2-(4-benzylpiperazin-1-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 30863495
1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-phenylurea
CID 36824225
3-(3-cyclopropyl-4-oxoquinazolin-2-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide
CID 55358562
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-phenylmethoxyacetamide
CID 102603576
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide
CID 36565957
N-(4-bromo-2-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 5077744
3-(6-bromo-4-oxoquinazolin-3-yl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]propanamide
CID 31309012
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 34193147

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 32761024) is N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is CCN1CCN(c2ccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)c(C)c2)CC1.
What is the InChIKey of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is ARSOKGHDQPFPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-4-28-11-13-29(14-12-28)18-9-10-21(17(2)15-18)25-23(30)16-22-19-7-5-6-8-20(19)24(31)27(3)26-22/h5-10,15H,4,11-14,16H2,1-3H3,(H,25,30).
What are the key properties of N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 32761024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).