N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide

C17H21N3O3 — CID 51082580

IUPACN-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C17H21N3O3/c1-3-20(10-12-8-9-23-11-12)17(22)15-13-6-4-5-7-14(13)16(21)19(2)18-15/h4-7,12H,3,8-11H2,1-2H3
InChIKeyDILZZFJXZKJDND-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.43
Rot. Bonds4

About N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide

N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide (PubChem CID 51082580) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide
PubChem CID51082580
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C17H21N3O3/c1-3-20(10-12-8-9-23-11-12)17(22)15-13-6-4-5-7-14(13)16(21)19(2)18-15/h4-7,12H,3,8-11H2,1-2H3
InChIKeyDILZZFJXZKJDND-UHFFFAOYSA-N
XLogP1.43
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 61051779
N-ethyl-2-oxo-N-[[(3S)-oxolan-3-yl]methyl]-6-phenyl-1H-pyridine-3-carboxamide
CID 95977130
5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
CID 61116521
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
1-ethyl-3-naphthalen-1-yl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94139207
N-ethyl-N-(oxolan-3-ylmethyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 55745103
N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 94489587
N-ethyl-2-iodo-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 113223582
N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 94175663
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
1-(2-chlorophenyl)-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 51099460

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide?
The IUPAC name of N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide (CID 51082580) is N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide.
What is the SMILES notation for N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide?
The canonical SMILES for N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide is CCN(CC1CCOC1)C(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide?
The InChIKey is DILZZFJXZKJDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-20(10-12-8-9-23-11-12)17(22)15-13-6-4-5-7-14(13)16(21)19(2)18-15/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide?
N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide is sourced from PubChem (CID 51082580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).