4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide

C18H17N3O2 — CID 2598592

IUPAC4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H17N3O2/c1-12(2)21-18(23)15-11-7-6-10-14(15)16(20-21)17(22)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,22)
InChIKeyOPNLVTBKRJARDD-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.23
Rot. Bonds3

About 4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide

4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 2598592) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound Name4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID2598592
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)n1nc(C(=O)Nc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C18H17N3O2/c1-12(2)21-18(23)15-11-7-6-10-14(15)16(20-21)17(22)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,22)
InChIKeyOPNLVTBKRJARDD-UHFFFAOYSA-N
XLogP3.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2664740
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 46421233
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2713554
N-[4-(morpholin-4-ylmethyl)phenyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78802659
N-(benzenesulfonyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 87011272
N-(4-methyl-2-pyridinyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 78794453
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55517726
N-(3-benzyl-4-methoxyphenyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55446782
N-(2-methyl-1,3-benzoxazol-5-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 51187330
methyl (2S)-2-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]propanoate
CID 87040056
3-[(2S)-1-anilino-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylate
CID 2627389
N-(3-methylpentan-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86839446

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of 4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide (CID 2598592) is 4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for 4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for 4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide is CC(C)n1nc(C(=O)Nc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is OPNLVTBKRJARDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-12(2)21-18(23)15-11-7-6-10-14(15)16(20-21)17(22)19-13-8-4-3-5-9-13/h3-12H,1-2H3,(H,19,22).
What are the key properties of 4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide?
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 2598592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).