N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide

C26H24N4O2 — CID 18271120

IUPACN-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C26H24N4O2/c1-2-30-26(32)23-16-10-9-15-22(23)24(29-30)25(31)28-27-21(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3,(H,28,31)
InChIKeyMAWZIMJAXSWKFN-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.99
Rot. Bonds7

About N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide

N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide (PubChem CID 18271120) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
PubChem CID18271120
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC NameN-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C26H24N4O2/c1-2-30-26(32)23-16-10-9-15-22(23)24(29-30)25(31)28-27-21(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3,(H,28,31)
InChIKeyMAWZIMJAXSWKFN-UHFFFAOYSA-N
XLogP3.99
TPSA76.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.99
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

3-ethyl-N-[(Z)-2-methylpentan-3-ylideneamino]-4-oxophthalazine-1-carboxamide
CID 9462939
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9462970
3-ethyl-N-[(Z)-1-(5-methylthiophen-2-yl)ethylideneamino]-4-oxophthalazine-1-carboxamide
CID 9150107
N-(1,3-dihydroinden-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 9463081
3-benzyl-4-oxo-N-[(Z)-1-thiophen-2-ylpropylideneamino]phthalazine-1-carboxamide
CID 9175069
3-ethyl-4-oxophthalazine-1-carboxylate
CID 2388830
3-ethyl-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide
CID 135749640
3-benzyl-N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide
CID 16555980
3-ethyl-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-oxophthalazine-1-carboxamide
CID 9462962
3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 4543224
N-(2-chlorophenyl)-3-ethyl-4-oxophthalazine-1-carboxamide
CID 7733216
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 26516305

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide (CID 18271120) is N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)c2ccccc2c1=O.
What is the InChIKey of N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide?
The InChIKey is MAWZIMJAXSWKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-2-30-26(32)23-16-10-9-15-22(23)24(29-30)25(31)28-27-21(17-19-11-5-3-6-12-19)18-20-13-7-4-8-14-20/h3-16H,2,17-18H2,1H3,(H,28,31).
What are the key properties of N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide?
N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpropan-2-ylideneamino)-3-ethyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 18271120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).