N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

C15H24N4O2 — CID 66965949

IUPACN-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCC(CNC(=O)Cc1n[nH]c(=O)c2c1CCCC2)N(C)C
InChIInChI=1S/C15H24N4O2/c1-10(19(2)3)9-16-14(20)8-13-11-6-4-5-7-12(11)15(21)18-17-13/h10H,4-9H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyAUTSLQCQXQMCLE-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.26
Rot. Bonds5

About N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (PubChem CID 66965949) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
PubChem CID66965949
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCC(CNC(=O)Cc1n[nH]c(=O)c2c1CCCC2)N(C)C
InChIInChI=1S/C15H24N4O2/c1-10(19(2)3)9-16-14(20)8-13-11-6-4-5-7-12(11)15(21)18-17-13/h10H,4-9H2,1-3H3,(H,16,20)(H,18,21)
InChIKeyAUTSLQCQXQMCLE-UHFFFAOYSA-N
XLogP0.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (CID 66965949) is N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is CC(CNC(=O)Cc1n[nH]c(=O)c2c1CCCC2)N(C)C.
What is the InChIKey of N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The InChIKey is AUTSLQCQXQMCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(19(2)3)9-16-14(20)8-13-11-6-4-5-7-12(11)15(21)18-17-13/h10H,4-9H2,1-3H3,(H,16,20)(H,18,21).
What are the key properties of N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)propyl]-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 66965949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).