3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide

C22H25N3O3 — CID 38503615

IUPAC3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccc(OC(C)C)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H25N3O3/c1-4-25-22(27)19-8-6-5-7-18(19)20(24-25)21(26)23-14-13-16-9-11-17(12-10-16)28-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)
InChIKeyGAVFWGXEWBSUKK-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.18
Rot. Bonds7

About 3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide

3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide (PubChem CID 38503615) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide
PubChem CID38503615
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NCCc2ccc(OC(C)C)cc2)c2ccccc2c1=O
InChIInChI=1S/C22H25N3O3/c1-4-25-22(27)19-8-6-5-7-18(19)20(24-25)21(26)23-14-13-16-9-11-17(12-10-16)28-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)
InChIKeyGAVFWGXEWBSUKK-UHFFFAOYSA-N
XLogP3.18
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 26516305
3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide
CID 26710366
3-benzyl-4-oxo-N-(2-phenylethyl)phthalazine-1-carboxamide
CID 4797057
3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
3-ethyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-4-oxophthalazine-1-carbohydrazide
CID 7965300
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 55400241
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 4852270
3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
CID 9293948
3-(2-methylpropyl)-4-oxo-N-[(4-propoxyphenyl)methyl]phthalazine-1-carboxamide
CID 52654082
4-methoxy-1-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]pyrazole-3-carboxamide
CID 33157859
3-ethyl-N-[(Z)-2-methylpentan-3-ylideneamino]-4-oxophthalazine-1-carboxamide
CID 9462939
3-ethyl-N-(2-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 4543224

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide (CID 38503615) is 3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide is CCn1nc(C(=O)NCCc2ccc(OC(C)C)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide?
The InChIKey is GAVFWGXEWBSUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-4-25-22(27)19-8-6-5-7-18(19)20(24-25)21(26)23-14-13-16-9-11-17(12-10-16)28-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,26).
What are the key properties of 3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide?
3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide is sourced from PubChem (CID 38503615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).