N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide

C19H19N3O2 — CID 31739910

IUPACN-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-2-12-22(13-14-8-4-3-5-9-14)19(24)17-15-10-6-7-11-16(15)18(23)21-20-17/h3-11H,2,12-13H2,1H3,(H,21,23)
InChIKeyLZSLBACFASSCGK-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.98
Rot. Bonds5

About N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide

N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide (PubChem CID 31739910) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
PubChem CID31739910
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
SMILESCCCN(Cc1ccccc1)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H19N3O2/c1-2-12-22(13-14-8-4-3-5-9-14)19(24)17-15-10-6-7-11-16(15)18(23)21-20-17/h3-11H,2,12-13H2,1H3,(H,21,23)
InChIKeyLZSLBACFASSCGK-UHFFFAOYSA-N
XLogP2.98
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide?
The IUPAC name of N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide (CID 31739910) is N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide is CCCN(Cc1ccccc1)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide?
The InChIKey is LZSLBACFASSCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-2-12-22(13-14-8-4-3-5-9-14)19(24)17-15-10-6-7-11-16(15)18(23)21-20-17/h3-11H,2,12-13H2,1H3,(H,21,23).
What are the key properties of N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide?
N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 31739910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).