N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide

C16H24N2O4 — CID 17357941

IUPACN'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
SMILESCCOCCC(=O)NNC(=O)c1ccccc1OCC(C)C
InChIInChI=1S/C16H24N2O4/c1-4-21-10-9-15(19)17-18-16(20)13-7-5-6-8-14(13)22-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyRIFTYKBOVBTZBF-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.91
Rot. Bonds8

About N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide

N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide (PubChem CID 17357941) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
PubChem CID17357941
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
SMILESCCOCCC(=O)NNC(=O)c1ccccc1OCC(C)C
InChIInChI=1S/C16H24N2O4/c1-4-21-10-9-15(19)17-18-16(20)13-7-5-6-8-14(13)22-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyRIFTYKBOVBTZBF-UHFFFAOYSA-N
XLogP1.91
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17051072
N'-(3-ethoxypropanoyl)-2-methoxybenzohydrazide
CID 17357908
N-(4-ethoxyphenyl)-4-[2-[2-(2-methylpropoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 4945641
N'-[2-(4-methylphenoxy)acetyl]-2-(2-methylpropoxy)benzohydrazide
CID 4945628
N'-(2-ethoxyacetyl)-2-(2-methoxyethoxy)benzohydrazide
CID 17140943
5-[2-[3,5-bis[[[2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenoxy]ethoxy]-1-N',3-N'-bis[2-(2-methylpropoxy)benzoyl]benzene-1,3-dicarbohydrazide
CID 102166261
N-(2-chlorophenyl)-4-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 17122868
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
2,4-dichloro-N'-[2-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4945586
2-(2-ethoxyethoxy)-N-[[[4-(2-methylpropoxy)benzoyl]amino]carbamothioyl]benzamide
CID 17123204
4-[2-(2-ethoxybenzoyl)hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4926492
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide?
The IUPAC name of N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide (CID 17357941) is N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide is CCOCCC(=O)NNC(=O)c1ccccc1OCC(C)C.
What is the InChIKey of N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide?
The InChIKey is RIFTYKBOVBTZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-4-21-10-9-15(19)17-18-16(20)13-7-5-6-8-14(13)22-11-12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide?
N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide has a molecular weight of 308.38 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 17357941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).