3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide

C20H21N3O4 — CID 26710366

IUPAC3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NCCOc2ccc(OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H21N3O4/c1-3-23-20(25)17-7-5-4-6-16(17)18(22-23)19(24)21-12-13-27-15-10-8-14(26-2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyZEKBNKKEIZGRPK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.23
Rot. Bonds7

About 3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide

3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide (PubChem CID 26710366) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide
PubChem CID26710366
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide
SMILESCCn1nc(C(=O)NCCOc2ccc(OC)cc2)c2ccccc2c1=O
InChIInChI=1S/C20H21N3O4/c1-3-23-20(25)17-7-5-4-6-16(17)18(22-23)19(24)21-12-13-27-15-10-8-14(26-2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyZEKBNKKEIZGRPK-UHFFFAOYSA-N
XLogP2.23
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 2540338
N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2674005
1-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 121066856
3-ethyl-4-oxo-N-[2-(4-propan-2-yloxyphenyl)ethyl]phthalazine-1-carboxamide
CID 38503615
3-benzyl-N-[[4-(2-methoxyethoxy)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55662834
3-ethyl-N'-(2-naphthalen-2-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 7979968
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 26516305
2-(4-methoxyphenoxy)ethyl 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate
CID 7898318
3-(2-methylpropyl)-4-oxo-N-[(4-propoxyphenyl)methyl]phthalazine-1-carboxamide
CID 52654082
N'-(4-methoxyphenyl)sulfonyl-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26950404
methyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-2-methylpropanoate
CID 51077827
3-ethyl-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]-4-oxophthalazine-1-carboxamide
CID 135749640

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide (CID 26710366) is 3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide is CCn1nc(C(=O)NCCOc2ccc(OC)cc2)c2ccccc2c1=O.
What is the InChIKey of 3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is ZEKBNKKEIZGRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-3-23-20(25)17-7-5-4-6-16(17)18(22-23)19(24)21-12-13-27-15-10-8-14(26-2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide?
3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 26710366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).