N'-dodecanoyl-4-heptylbenzohydrazide

C26H44N2O2 — CID 3103832

IUPACN'-dodecanoyl-4-heptylbenzohydrazide
SMILESCCCCCCCCCCCC(=O)NNC(=O)c1ccc(CCCCCCC)cc1
InChIInChI=1S/C26H44N2O2/c1-3-5-7-9-10-11-12-14-16-18-25(29)27-28-26(30)24-21-19-23(20-22-24)17-15-13-8-6-4-2/h19-22H,3-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyXZNOXBNKSQLYMB-UHFFFAOYSA-N
MW416.65 g/mol
LogP6.88
Rot. Bonds17

About N'-dodecanoyl-4-heptylbenzohydrazide

N'-dodecanoyl-4-heptylbenzohydrazide (PubChem CID 3103832) has the molecular formula C26H44N2O2 and a molecular weight of 416.65 g/mol. Its IUPAC name is N'-dodecanoyl-4-heptylbenzohydrazide.

Molecular Properties

Compound NameN'-dodecanoyl-4-heptylbenzohydrazide
PubChem CID3103832
Molecular FormulaC26H44N2O2
Molecular Weight416.65 g/mol
Exact Mass416.34
IUPAC NameN'-dodecanoyl-4-heptylbenzohydrazide
SMILESCCCCCCCCCCCC(=O)NNC(=O)c1ccc(CCCCCCC)cc1
InChIInChI=1S/C26H44N2O2/c1-3-5-7-9-10-11-12-14-16-18-25(29)27-28-26(30)24-21-19-23(20-22-24)17-15-13-8-6-4-2/h19-22H,3-18H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyXZNOXBNKSQLYMB-UHFFFAOYSA-N
XLogP6.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.65
LogP ≤ 56.88
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

4-methyl-N'-octanoylbenzohydrazide
CID 4958769
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
[(4-hexylbenzoyl)amino]thiourea
CID 86158248
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N'-tetradecanoylpyridine-4-carbohydrazide
CID 54792198
N'-heptanoyl-4-hexoxybenzohydrazide
CID 54789289
[(4-pentylbenzoyl)amino]thiourea
CID 2743438
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
4-ethoxy-N'-[5-(4-methylphenyl)pentanoyl]benzohydrazide
CID 60602190
1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
CID 3092349

Frequently Asked Questions

What is the IUPAC name of N'-dodecanoyl-4-heptylbenzohydrazide?
The IUPAC name of N'-dodecanoyl-4-heptylbenzohydrazide (CID 3103832) is N'-dodecanoyl-4-heptylbenzohydrazide.
What is the SMILES notation for N'-dodecanoyl-4-heptylbenzohydrazide?
The canonical SMILES for N'-dodecanoyl-4-heptylbenzohydrazide is CCCCCCCCCCCC(=O)NNC(=O)c1ccc(CCCCCCC)cc1.
What is the InChIKey of N'-dodecanoyl-4-heptylbenzohydrazide?
The InChIKey is XZNOXBNKSQLYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O2/c1-3-5-7-9-10-11-12-14-16-18-25(29)27-28-26(30)24-21-19-23(20-22-24)17-15-13-8-6-4-2/h19-22H,3-18H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N'-dodecanoyl-4-heptylbenzohydrazide?
N'-dodecanoyl-4-heptylbenzohydrazide has a molecular weight of 416.65 g/mol, XLogP of 6.88, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-dodecanoyl-4-heptylbenzohydrazide is sourced from PubChem (CID 3103832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).