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

C19H23N3O2 — CID 59751930

IUPACN-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C19H23N3O2/c1-2-22(13-14-8-4-3-5-9-14)18(23)12-17-15-10-6-7-11-16(15)19(24)21-20-17/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,21,24)
InChIKeyOMZMPBVOCZAKDX-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.24
Rot. Bonds5

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

N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (PubChem CID 59751930) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
PubChem CID59751930
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide
SMILESCCN(Cc1ccccc1)C(=O)Cc1n[nH]c(=O)c2c1CCCC2
InChIInChI=1S/C19H23N3O2/c1-2-22(13-14-8-4-3-5-9-14)18(23)12-17-15-10-6-7-11-16(15)19(24)21-20-17/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,21,24)
InChIKeyOMZMPBVOCZAKDX-UHFFFAOYSA-N
XLogP2.24
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide (CID 59751930) is N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is CCN(Cc1ccccc1)C(=O)Cc1n[nH]c(=O)c2c1CCCC2.
What is the InChIKey of N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
The InChIKey is OMZMPBVOCZAKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-22(13-14-8-4-3-5-9-14)18(23)12-17-15-10-6-7-11-16(15)19(24)21-20-17/h3-5,8-9H,2,6-7,10-13H2,1H3,(H,21,24).
What are the key properties of N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide?
N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide has a molecular weight of 325.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-phthalazin-1-yl)acetamide is sourced from PubChem (CID 59751930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).