N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide

C20H22N4O3 — CID 167771862

IUPACN-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C20H22N4O3/c21-11-13-23(12-10-15-6-2-1-3-7-15)18(25)14-24-20(27)17-9-5-4-8-16(17)19(26)22-24/h1-9H,10-14,21H2,(H,22,26)
InChIKeyLGXYZLPFGMIIJZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.72
Rot. Bonds7

About N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide

N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide (PubChem CID 167771862) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide
PubChem CID167771862
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide
SMILESNCCN(CCc1ccccc1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O
InChIInChI=1S/C20H22N4O3/c21-11-13-23(12-10-15-6-2-1-3-7-15)18(25)14-24-20(27)17-9-5-4-8-16(17)19(26)22-24/h1-9H,10-14,21H2,(H,22,26)
InChIKeyLGXYZLPFGMIIJZ-UHFFFAOYSA-N
XLogP0.72
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-2-(2-oxo-3H-benzimidazol-1-yl)-N-(2-phenylethyl)acetamide
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N-(2-aminoethyl)-2-(2-oxopiperidin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885063
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
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CID 120885504
N-(2-aminoethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylethyl)acetamide
CID 120884912
N-(2-aminoethyl)-3-(2,4-dioxoquinazolin-1-yl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120886485
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]acetamide
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N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120886492
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-ethyl-N-methylacetamide
CID 134023520
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
N-[2-(4-chlorophenyl)ethyl]-2-(1,4-dioxo-3H-phthalazin-2-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide (CID 167771862) is N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide is NCCN(CCc1ccccc1)C(=O)Cn1[nH]c(=O)c2ccccc2c1=O.
What is the InChIKey of N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is LGXYZLPFGMIIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c21-11-13-23(12-10-15-6-2-1-3-7-15)18(25)14-24-20(27)17-9-5-4-8-16(17)19(26)22-24/h1-9H,10-14,21H2,(H,22,26).
What are the key properties of N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide?
N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 366.42 g/mol, XLogP of 0.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 167771862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).