N'-butanoyl-4-(3-methylbutoxy)benzohydrazide

C16H24N2O3 — CID 4927928

IUPACN'-butanoyl-4-(3-methylbutoxy)benzohydrazide
SMILESCCCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-5-15(19)17-18-16(20)13-6-8-14(9-7-13)21-11-10-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFCNISWLPVMKJLR-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.67
Rot. Bonds7

About N'-butanoyl-4-(3-methylbutoxy)benzohydrazide

N'-butanoyl-4-(3-methylbutoxy)benzohydrazide (PubChem CID 4927928) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-butanoyl-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-butanoyl-4-(3-methylbutoxy)benzohydrazide
PubChem CID4927928
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-butanoyl-4-(3-methylbutoxy)benzohydrazide
SMILESCCCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1
InChIInChI=1S/C16H24N2O3/c1-4-5-15(19)17-18-16(20)13-6-8-14(9-7-13)21-11-10-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyFCNISWLPVMKJLR-UHFFFAOYSA-N
XLogP2.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-heptanoyl-4-(3-methylbutoxy)benzohydrazide
CID 54789257
N-[4-[[[4-(3-methylbutoxy)benzoyl]amino]carbamoyl]phenyl]butanamide
CID 4948474
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-butanoyl-4-butoxybenzohydrazide
CID 17340318
N'-butanoyl-4-(2-phenoxyethoxy)benzohydrazide
CID 17340326
N-[[[4-(butanoylamino)benzoyl]amino]carbamothioyl]-4-(3-methylbutoxy)benzamide
CID 4949545
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N'-[2-(2-ethoxyphenoxy)acetyl]-4-(3-methylbutoxy)benzohydrazide
CID 55334035
N'-butanoyl-4-propan-2-yloxybenzohydrazide
CID 17340325
N-(2,5-dimethylphenyl)-4-[2-[4-(3-methylbutoxy)benzoyl]hydrazinyl]-4-oxobutanamide
CID 4948472
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289

Frequently Asked Questions

What is the IUPAC name of N'-butanoyl-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-butanoyl-4-(3-methylbutoxy)benzohydrazide (CID 4927928) is N'-butanoyl-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-butanoyl-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-butanoyl-4-(3-methylbutoxy)benzohydrazide is CCCC(=O)NNC(=O)c1ccc(OCCC(C)C)cc1.
What is the InChIKey of N'-butanoyl-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is FCNISWLPVMKJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-5-15(19)17-18-16(20)13-6-8-14(9-7-13)21-11-10-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-butanoyl-4-(3-methylbutoxy)benzohydrazide?
N'-butanoyl-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 292.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 4927928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).