2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide

C13H15N3O2 — CID 17394362

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C13H15N3O2/c1-2-7-14-12(17)8-11-9-5-3-4-6-10(9)13(18)16-15-11/h3-6H,2,7-8H2,1H3,(H,14,17)(H,16,18)
InChIKeyDWESAMKAIXOZMA-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.99
Rot. Bonds4

About 2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide (PubChem CID 17394362) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
PubChem CID17394362
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C13H15N3O2/c1-2-7-14-12(17)8-11-9-5-3-4-6-10(9)13(18)16-15-11/h3-6H,2,7-8H2,1H3,(H,14,17)(H,16,18)
InChIKeyDWESAMKAIXOZMA-UHFFFAOYSA-N
XLogP0.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8853304
N-(1-hydroxypropan-2-yl)-3-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanamide
CID 171138517
N-[2-(4-methylphenoxy)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2558717
N-[2-(1H-indol-3-yl)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 2450567
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-(2,2-diphenylpropyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17406582
N-(furan-3-ylmethyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 171679416
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
N-[(2-chloropyrimidin-5-yl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 166429063
(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoic acid
CID 51606533
N-[(3-chlorophenyl)methyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17402682
2-(4-oxo-3H-phthalazin-1-yl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 171679450

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide (CID 17394362) is 2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide is CCCNC(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
The InChIKey is DWESAMKAIXOZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-7-14-12(17)8-11-9-5-3-4-6-10(9)13(18)16-15-11/h3-6H,2,7-8H2,1H3,(H,14,17)(H,16,18).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide has a molecular weight of 245.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide is sourced from PubChem (CID 17394362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).