3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide

C23H24N4O5 — CID 24634863

IUPAC3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide
SMILESC/C=C/c1ccc(OCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c(OC)c1
InChIInChI=1S/C23H24N4O5/c1-4-8-15-11-12-18(19(13-15)31-3)32-14-20(28)24-25-22(29)21-16-9-6-7-10-17(16)23(30)27(5-2)26-21/h4,6-13H,5,14H2,1-3H3,(H,24,28)(H,25,29)/b8-4+
InChIKeyLTAYHWCBWHZWCU-XBXARRHUSA-N
MW436.47 g/mol
LogP2.30
Rot. Bonds7

About 3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide

3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide (PubChem CID 24634863) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide.

Molecular Properties

Compound Name3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide
PubChem CID24634863
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide
SMILESC/C=C/c1ccc(OCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c(OC)c1
InChIInChI=1S/C23H24N4O5/c1-4-8-15-11-12-18(19(13-15)31-3)32-14-20(28)24-25-22(29)21-16-9-6-7-10-17(16)23(30)27(5-2)26-21/h4,6-13H,5,14H2,1-3H3,(H,24,28)(H,25,29)/b8-4+
InChIKeyLTAYHWCBWHZWCU-XBXARRHUSA-N
XLogP2.30
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxo-3-pentylphthalazine-1-carbohydrazide
CID 26889919
N'-[2-(2,4-dichlorophenoxy)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806038
3-ethyl-N'-(3-methoxy-4-phenylmethoxybenzoyl)-4-oxophthalazine-1-carbohydrazide
CID 27563734
3-ethyl-N'-(2-naphthalen-2-yloxyacetyl)-4-oxophthalazine-1-carbohydrazide
CID 7979968
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 4806034
N'-[2-(2,3-dimethylphenoxy)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 8838624
N'-[(E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 26876061
N'-(3,5-dimethoxybenzoyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 2674005
N'-[4-(4-cyano-2-methoxyphenoxy)butanoyl]-4-oxo-3-propylphthalazine-1-carbohydrazide
CID 55713248
5-chloro-2-methoxy-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]benzohydrazide
CID 24636112
3-ethyl-N'-[2-(3-methoxyanilino)acetyl]-4-oxophthalazine-1-carbohydrazide
CID 17451693
N-[(E)-(4-butoxy-3-methoxyphenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide
CID 55352746

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide?
The IUPAC name of 3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide (CID 24634863) is 3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide.
What is the SMILES notation for 3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide?
The canonical SMILES for 3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide is C/C=C/c1ccc(OCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)c(OC)c1.
What is the InChIKey of 3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide?
The InChIKey is LTAYHWCBWHZWCU-XBXARRHUSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-4-8-15-11-12-18(19(13-15)31-3)32-14-20(28)24-25-22(29)21-16-9-6-7-10-17(16)23(30)27(5-2)26-21/h4,6-13H,5,14H2,1-3H3,(H,24,28)(H,25,29)/b8-4+.
What are the key properties of 3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide?
3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide has a molecular weight of 436.47 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N'-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]-4-oxophthalazine-1-carbohydrazide is sourced from PubChem (CID 24634863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).