(2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide

C26H29N3O3 — CID 92735258

IUPAC(2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](CC)n1nc(-c2ccccc2)c2c(c1=O)CCCC2
InChIInChI=1S/C26H29N3O3/c1-3-22(25(30)27-21-16-10-11-17-23(21)32-4-2)29-26(31)20-15-9-8-14-19(20)24(28-29)18-12-6-5-7-13-18/h5-7,10-13,16-17,22H,3-4,8-9,14-15H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyXTRUXRBNEQQVMD-JOCHJYFZSA-N
MW431.54 g/mol
LogP4.78
Rot. Bonds7

About (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide

(2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide (PubChem CID 92735258) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
PubChem CID92735258
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name(2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide
SMILESCCOc1ccccc1NC(=O)[C@@H](CC)n1nc(-c2ccccc2)c2c(c1=O)CCCC2
InChIInChI=1S/C26H29N3O3/c1-3-22(25(30)27-21-16-10-11-17-23(21)32-4-2)29-26(31)20-15-9-8-14-19(20)24(28-29)18-12-6-5-7-13-18/h5-7,10-13,16-17,22H,3-4,8-9,14-15H2,1-2H3,(H,27,30)/t22-/m1/s1
InChIKeyXTRUXRBNEQQVMD-JOCHJYFZSA-N
XLogP4.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide with MolForge

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Related Compounds

methyl 4-[2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanoylamino]benzoate
CID 25249803
(2S)-N-(4-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28622867
(2R)-2-(4,8-dimethyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-ethoxyphenyl)butanamide
CID 92716649
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]butanamide
CID 28623021
2-(2-ethoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-N-(2-ethoxyphenyl)butanamide
CID 50794209
2-(4,8-dimethyl-2-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)butanamide
CID 46301214
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)-3-phenylpropanamide
CID 2591223
2-[(2-ethoxyphenyl)carbamoyl]cyclopentene-1-carboxylic acid
CID 68838404
(2S)-N-(2-ethoxyphenyl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 51981117
N-(2-ethoxyphenyl)-2-(7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanamide
CID 44638716
4-(2-ethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496044

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide?
The IUPAC name of (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide (CID 92735258) is (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide.
What is the SMILES notation for (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide?
The canonical SMILES for (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide is CCOc1ccccc1NC(=O)[C@@H](CC)n1nc(-c2ccccc2)c2c(c1=O)CCCC2.
What is the InChIKey of (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide?
The InChIKey is XTRUXRBNEQQVMD-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-3-22(25(30)27-21-16-10-11-17-23(21)32-4-2)29-26(31)20-15-9-8-14-19(20)24(28-29)18-12-6-5-7-13-18/h5-7,10-13,16-17,22H,3-4,8-9,14-15H2,1-2H3,(H,27,30)/t22-/m1/s1.
What are the key properties of (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide?
(2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide has a molecular weight of 431.54 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-ethoxyphenyl)-2-(1-oxo-4-phenyl-5,6,7,8-tetrahydrophthalazin-2-yl)butanamide is sourced from PubChem (CID 92735258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).