N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

C17H21N3O4 — CID 70711422

IUPACN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCN(C(=O)Cn1nc(C)c2ccccc2c1=O)[C@H]1COC[C@@H]1O
InChIInChI=1S/C17H21N3O4/c1-3-19(14-9-24-10-15(14)21)16(22)8-20-17(23)13-7-5-4-6-12(13)11(2)18-20/h4-7,14-15,21H,3,8-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyNDOSUUZLPSIFAU-GJZGRUSLSA-N
MW331.37 g/mol
LogP0.31
Rot. Bonds4

About N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide

N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 70711422) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID70711422
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCCN(C(=O)Cn1nc(C)c2ccccc2c1=O)[C@H]1COC[C@@H]1O
InChIInChI=1S/C17H21N3O4/c1-3-19(14-9-24-10-15(14)21)16(22)8-20-17(23)13-7-5-4-6-12(13)11(2)18-20/h4-7,14-15,21H,3,8-10H2,1-2H3/t14-,15-/m0/s1
InChIKeyNDOSUUZLPSIFAU-GJZGRUSLSA-N
XLogP0.31
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide
CID 51080983
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55526023
N-cyclopropyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 37483928
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
N-ethyl-2-(4-methyl-1-oxophthalazin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 51091584
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29417051
N-[(3S,4R)-3-ethoxyoxan-4-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 91787158
2-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 96512933
3-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxamide
CID 24632547
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 56817728
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 35701227

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 70711422) is N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is CCN(C(=O)Cn1nc(C)c2ccccc2c1=O)[C@H]1COC[C@@H]1O.
What is the InChIKey of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is NDOSUUZLPSIFAU-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-19(14-9-24-10-15(14)21)16(22)8-20-17(23)13-7-5-4-6-12(13)11(2)18-20/h4-7,14-15,21H,3,8-10H2,1-2H3/t14-,15-/m0/s1.
What are the key properties of N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 331.37 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 70711422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).