N'-heptanoylbenzohydrazide

C14H20N2O2 — CID 4218130

IUPACN'-heptanoylbenzohydrazide
SMILESCCCCCCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-3-4-8-11-13(17)15-16-14(18)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,15,17)(H,16,18)
InChIKeyWNJKFLYSRNFKDY-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.42
Rot. Bonds6

About N'-heptanoylbenzohydrazide

N'-heptanoylbenzohydrazide (PubChem CID 4218130) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-heptanoylbenzohydrazide.

Molecular Properties

Compound NameN'-heptanoylbenzohydrazide
PubChem CID4218130
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN'-heptanoylbenzohydrazide
SMILESCCCCCCC(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C14H20N2O2/c1-2-3-4-8-11-13(17)15-16-14(18)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,15,17)(H,16,18)
InChIKeyWNJKFLYSRNFKDY-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N'-octanoylbenzohydrazide
CID 4227469
N'-nonanoylbenzohydrazide
CID 5163159
1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
CID 3092349
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
3-methyl-N'-octanoylbenzohydrazide
CID 2218282
N'-dodecanoyl-4-heptylbenzohydrazide
CID 3103832
N'-dodecanoylpyridine-3-carbohydrazide
CID 171977470
N'-decanoylpyridine-3-carbohydrazide
CID 132992060
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
N-[4-[2-(4-hexoxybenzoyl)hydrazinyl]-4-oxobutyl]benzamide
CID 29264757

Frequently Asked Questions

What is the IUPAC name of N'-heptanoylbenzohydrazide?
The IUPAC name of N'-heptanoylbenzohydrazide (CID 4218130) is N'-heptanoylbenzohydrazide.
What is the SMILES notation for N'-heptanoylbenzohydrazide?
The canonical SMILES for N'-heptanoylbenzohydrazide is CCCCCCC(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-heptanoylbenzohydrazide?
The InChIKey is WNJKFLYSRNFKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-4-8-11-13(17)15-16-14(18)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-heptanoylbenzohydrazide?
N'-heptanoylbenzohydrazide has a molecular weight of 248.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-heptanoylbenzohydrazide is sourced from PubChem (CID 4218130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).