N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide

C19H24N4O5 — CID 31211747

IUPACN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)[C@H](C)Oc2ccc(OCC)cc2)ccc1=O
InChIInChI=1S/C19H24N4O5/c1-4-12-23-17(24)11-10-16(22-23)19(26)21-20-18(25)13(3)28-15-8-6-14(7-9-15)27-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,20,25)(H,21,26)/t13-/m0/s1
InChIKeyCVJXVYVNYSJVSU-ZDUSSCGKSA-N
MW388.42 g/mol
LogP1.28
Rot. Bonds8

About N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide

N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide (PubChem CID 31211747) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide
PubChem CID31211747
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide
SMILESCCCn1nc(C(=O)NNC(=O)[C@H](C)Oc2ccc(OCC)cc2)ccc1=O
InChIInChI=1S/C19H24N4O5/c1-4-12-23-17(24)11-10-16(22-23)19(26)21-20-18(25)13(3)28-15-8-6-14(7-9-15)27-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,20,25)(H,21,26)/t13-/m0/s1
InChIKeyCVJXVYVNYSJVSU-ZDUSSCGKSA-N
XLogP1.28
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.28
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-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113
[1-(4-ethoxyanilino)-1-oxopropan-2-yl] 1-butyl-6-oxopyridazine-3-carboxylate
CID 18289394
N-[(4-ethoxyphenyl)methyl]-N-methyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 78779706
N'-[2-(4-ethoxyphenoxy)propanoyl]-2-phenoxypropanehydrazide
CID 42908805
N'-[2-(4-ethoxyphenoxy)propanoyl]-5-methyl-1-phenylpyrazole-3-carbohydrazide
CID 55755097
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
methyl (2S)-3-methyl-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]butanoate
CID 87040055
3,4-diethoxy-N'-[2-(4-ethoxyphenoxy)propanoyl]benzohydrazide
CID 43003826
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
methyl 4-[[[(2S)-2-(4-ethoxyphenoxy)propanoyl]amino]carbamoyl]benzoate
CID 9343601
N'-(2-butylsulfanylacetyl)-2-(4-ethoxyphenoxy)propanehydrazide
CID 43060076

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide?
The IUPAC name of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide (CID 31211747) is N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide.
What is the SMILES notation for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide?
The canonical SMILES for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide is CCCn1nc(C(=O)NNC(=O)[C@H](C)Oc2ccc(OCC)cc2)ccc1=O.
What is the InChIKey of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide?
The InChIKey is CVJXVYVNYSJVSU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-4-12-23-17(24)11-10-16(22-23)19(26)21-20-18(25)13(3)28-15-8-6-14(7-9-15)27-5-2/h6-11,13H,4-5,12H2,1-3H3,(H,20,25)(H,21,26)/t13-/m0/s1.
What are the key properties of N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide?
N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide has a molecular weight of 388.42 g/mol, XLogP of 1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(4-ethoxyphenoxy)propanoyl]-6-oxo-1-propylpyridazine-3-carbohydrazide is sourced from PubChem (CID 31211747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).