N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide

C22H24N4O3 — CID 38680304

IUPACN-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C22H24N4O3/c1-3-12-26(14-20(27)23-18-11-7-4-8-15(18)2)21(28)13-19-16-9-5-6-10-17(16)22(29)25-24-19/h4-11H,3,12-14H2,1-2H3,(H,23,27)(H,25,29)
InChIKeyRYZNNHNYCSVOKH-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.65
Rot. Bonds7

About N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide

N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide (PubChem CID 38680304) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
PubChem CID38680304
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C22H24N4O3/c1-3-12-26(14-20(27)23-18-11-7-4-8-15(18)2)21(28)13-19-16-9-5-6-10-17(16)22(29)25-24-19/h4-11H,3,12-14H2,1-2H3,(H,23,27)(H,25,29)
InChIKeyRYZNNHNYCSVOKH-UHFFFAOYSA-N
XLogP2.65
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
The IUPAC name of N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide (CID 38680304) is N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide.
What is the SMILES notation for N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
The canonical SMILES for N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
The InChIKey is RYZNNHNYCSVOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-12-26(14-20(27)23-18-11-7-4-8-15(18)2)21(28)13-19-16-9-5-6-10-17(16)22(29)25-24-19/h4-11H,3,12-14H2,1-2H3,(H,23,27)(H,25,29).
What are the key properties of N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide has a molecular weight of 392.46 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylanilino)-2-oxoethyl]-2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide is sourced from PubChem (CID 38680304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).