N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

C23H26N4O2 — CID 9465003

IUPACN-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)C/C(=N/NC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-15(2)14-20(17-10-6-5-7-11-17)24-25-22(28)21-18-12-8-9-13-19(18)23(29)27(26-21)16(3)4/h5-13,15-16H,14H2,1-4H3,(H,25,28)/b24-20-
InChIKeyLVLRYIAPWNCVGV-GFMRDNFCSA-N
MW390.49 g/mol
LogP4.16
Rot. Bonds6

About N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide

N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (PubChem CID 9465003) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
PubChem CID9465003
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
SMILESCC(C)C/C(=N/NC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccccc1
InChIInChI=1S/C23H26N4O2/c1-15(2)14-20(17-10-6-5-7-11-17)24-25-22(28)21-18-12-8-9-13-19(18)23(29)27(26-21)16(3)4/h5-13,15-16H,14H2,1-4H3,(H,25,28)/b24-20-
InChIKeyLVLRYIAPWNCVGV-GFMRDNFCSA-N
XLogP4.16
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-(4-chlorophenyl)propylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9464953
N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 9464930
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
4-oxo-3-propan-2-yl-N-[(Z)-pyridin-4-ylmethylideneamino]phthalazine-1-carboxamide
CID 9464908
N-(3-methylpentan-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86839446
N-(benzenesulfonyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 87011272
4-oxo-3-propan-2-yl-N-[(Z)-pyridin-2-ylmethylideneamino]phthalazine-1-carboxamide
CID 9464783
N-(benzhydrylideneamino)-3-methyl-4-oxophthalazine-1-carboxamide
CID 9095305
N-(3-hydroxy-4-methylpentyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 111461070
N-[(4-fluorophenyl)methyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 2592153
N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566475
N-(3-methyl-1-thiophen-2-ylbutyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55921712

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The IUPAC name of N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide (CID 9465003) is N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide.
What is the SMILES notation for N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The canonical SMILES for N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is CC(C)C/C(=N/NC(=O)c1nn(C(C)C)c(=O)c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
The InChIKey is LVLRYIAPWNCVGV-GFMRDNFCSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15(2)14-20(17-10-6-5-7-11-17)24-25-22(28)21-18-12-8-9-13-19(18)23(29)27(26-21)16(3)4/h5-13,15-16H,14H2,1-4H3,(H,25,28)/b24-20-.
What are the key properties of N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide?
N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-methyl-1-phenylbutylidene)amino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide is sourced from PubChem (CID 9465003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).