3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C20H25N3O5 — CID 120700498

IUPAC3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)(C(=O)O)C1(C)C
InChIInChI=1S/C20H25N3O5/c1-4-28-15-12-20(18(26)27,19(15,2)3)21-17(25)14-10-11-16(24)23(22-14)13-8-6-5-7-9-13/h5-9,15H,4,10-12H2,1-3H3,(H,21,25)(H,26,27)
InChIKeyGVRMOILKOIFYKA-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.94
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 120700498) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID120700498
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)(C(=O)O)C1(C)C
InChIInChI=1S/C20H25N3O5/c1-4-28-15-12-20(18(26)27,19(15,2)3)21-17(25)14-10-11-16(24)23(22-14)13-8-6-5-7-9-13/h5-9,15H,4,10-12H2,1-3H3,(H,21,25)(H,26,27)
InChIKeyGVRMOILKOIFYKA-UHFFFAOYSA-N
XLogP1.94
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

trans-(1S,3S)-3-ethoxy-2,2-dimethyl-1-[(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 129467918
3-ethoxy-2,2-dimethyl-1-[(2-phenyltriazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 120700438
3-ethoxy-2,2-dimethyl-1-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 120700242
6-oxo-1-phenyl-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 3469498
3-ethoxy-2,2-dimethyl-1-[3-(2-oxo-3,4-dihydroquinolin-1-yl)propanoylamino]cyclobutane-1-carboxylic acid
CID 120700581
3-ethoxy-2,2-dimethyl-1-[[2-[(2-phenylacetyl)amino]acetyl]amino]cyclobutane-1-carboxylic acid
CID 120699633
trans-(1R,3R)-3-ethoxy-2,2-dimethyl-1-(pyrazolo[1,5-a]pyridine-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 129468241
6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18077182
cis-(1S,3R)-3-ethoxy-1-(furan-2-carbonylamino)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 129402546
cis-(1R,3S)-3-ethoxy-1-(1H-indazole-3-carbonylamino)-2,2-dimethylcyclobutane-1-carboxylic acid
CID 129402517
N-hexyl-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18083745
1-[(3,5-difluorobenzoyl)amino]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 120699634

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 120700498) is 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is CCOC1CC(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)(C(=O)O)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is GVRMOILKOIFYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-4-28-15-12-20(18(26)27,19(15,2)3)21-17(25)14-10-11-16(24)23(22-14)13-8-6-5-7-9-13/h5-9,15H,4,10-12H2,1-3H3,(H,21,25)(H,26,27).
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[(6-oxo-1-phenyl-4,5-dihydropyridazine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120700498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).