[2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate

C17H21N3O4 — CID 7167894

IUPAC[2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
SMILESCCCCn1nc(C(=O)OCC(=O)N(C)C)c2ccccc2c1=O
InChIInChI=1S/C17H21N3O4/c1-4-5-10-20-16(22)13-9-7-6-8-12(13)15(18-20)17(23)24-11-14(21)19(2)3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyHVWLFLWFFXWMMU-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.44
Rot. Bonds6

About [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate

[2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate (PubChem CID 7167894) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
PubChem CID7167894
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
SMILESCCCCn1nc(C(=O)OCC(=O)N(C)C)c2ccccc2c1=O
InChIInChI=1S/C17H21N3O4/c1-4-5-10-20-16(22)13-9-7-6-8-12(13)15(18-20)17(23)24-11-14(21)19(2)3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyHVWLFLWFFXWMMU-UHFFFAOYSA-N
XLogP1.44
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 8808402
phenacyl 3-hexyl-4-oxophthalazine-1-carboxylate
CID 3922518
[2-(4-chlorophenyl)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 42966019
[2-oxo-2-(pentan-3-ylamino)ethyl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 2636580
N,N-dimethyl-4-oxo-3-pentylphthalazine-1-carboxamide
CID 46652418
[2-(carbamoylamino)-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate
CID 2680467
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate
CID 46607636
[2-(2-methoxyethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 7167911
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 8808406
[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502577
[2-[(4-bromophenyl)methyl-methylamino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate
CID 16502580
3-phenoxypropyl 4-oxo-3-pentylphthalazine-1-carboxylate
CID 55568775

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate (CID 7167894) is [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate is CCCCn1nc(C(=O)OCC(=O)N(C)C)c2ccccc2c1=O.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate?
The InChIKey is HVWLFLWFFXWMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-5-10-20-16(22)13-9-7-6-8-12(13)15(18-20)17(23)24-11-14(21)19(2)3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate?
[2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 1.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate is sourced from PubChem (CID 7167894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).