N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide

C13H19N3O3 — CID 66965387

IUPACN-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2c1CCCC2)NCCCO
InChIInChI=1S/C13H19N3O3/c17-7-3-6-14-12(18)8-11-9-4-1-2-5-10(9)13(19)16-15-11/h17H,1-8H2,(H,14,18)(H,16,19)
InChIKeyANUFKBLUCJCKMP-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.31
Rot. Bonds5

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

N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (PubChem CID 66965387) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
PubChem CID66965387
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESO=C(Cc1n[nH]c(=O)c2c1CCCC2)NCCCO
InChIInChI=1S/C13H19N3O3/c17-7-3-6-14-12(18)8-11-9-4-1-2-5-10(9)13(19)16-15-11/h17H,1-8H2,(H,14,18)(H,16,19)
InChIKeyANUFKBLUCJCKMP-UHFFFAOYSA-N
XLogP-0.31
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (CID 66965387) is N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is O=C(Cc1n[nH]c(=O)c2c1CCCC2)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The InChIKey is ANUFKBLUCJCKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-7-3-6-14-12(18)8-11-9-4-1-2-5-10(9)13(19)16-15-11/h17H,1-8H2,(H,14,18)(H,16,19).
What are the key properties of N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide has a molecular weight of 265.31 g/mol, XLogP of -0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 66965387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).