N'-octadecanoylnaphthalene-1-carbohydrazide

C29H44N2O2 — CID 22613560

IUPACN'-octadecanoylnaphthalene-1-carbohydrazide
SMILESCCCCCCCCCCCCCCCCCC(=O)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C29H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-28(32)30-31-29(33)27-23-19-21-25-20-17-18-22-26(25)27/h17-23H,2-16,24H2,1H3,(H,30,32)(H,31,33)
InChIKeyAUKZZJLOQCFXFM-UHFFFAOYSA-N
MW452.68 g/mol
LogP7.86
Rot. Bonds17

About N'-octadecanoylnaphthalene-1-carbohydrazide

N'-octadecanoylnaphthalene-1-carbohydrazide (PubChem CID 22613560) has the molecular formula C29H44N2O2 and a molecular weight of 452.68 g/mol. Its IUPAC name is N'-octadecanoylnaphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-octadecanoylnaphthalene-1-carbohydrazide
PubChem CID22613560
Molecular FormulaC29H44N2O2
Molecular Weight452.68 g/mol
Exact Mass452.34
IUPAC NameN'-octadecanoylnaphthalene-1-carbohydrazide
SMILESCCCCCCCCCCCCCCCCCC(=O)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C29H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-28(32)30-31-29(33)27-23-19-21-25-20-17-18-22-26(25)27/h17-23H,2-16,24H2,1H3,(H,30,32)(H,31,33)
InChIKeyAUKZZJLOQCFXFM-UHFFFAOYSA-N
XLogP7.86
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.68
LogP ≤ 57.86
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

2-fluoro-N-[6-[2-(naphthalene-1-carbonyl)hydrazinyl]-6-oxohexyl]benzamide
CID 10502272
1-naphthalen-1-yldodecan-1-one
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N-dodecylnaphthalene-1-carboxamide
CID 4278758
N'-octanoylbenzohydrazide
CID 4227469
N'-heptanoylbenzohydrazide
CID 4218130
N'-nonanoylbenzohydrazide
CID 5163159
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
2-[(pentanoylamino)carbamoyl]benzoic acid
CID 27378544
1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
CID 3092349
N-naphthalen-1-yldodecanamide
CID 588517
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
N'-heptanoyl-2-prop-2-enoxybenzohydrazide
CID 54789258

Frequently Asked Questions

What is the IUPAC name of N'-octadecanoylnaphthalene-1-carbohydrazide?
The IUPAC name of N'-octadecanoylnaphthalene-1-carbohydrazide (CID 22613560) is N'-octadecanoylnaphthalene-1-carbohydrazide.
What is the SMILES notation for N'-octadecanoylnaphthalene-1-carbohydrazide?
The canonical SMILES for N'-octadecanoylnaphthalene-1-carbohydrazide is CCCCCCCCCCCCCCCCCC(=O)NNC(=O)c1cccc2ccccc12.
What is the InChIKey of N'-octadecanoylnaphthalene-1-carbohydrazide?
The InChIKey is AUKZZJLOQCFXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-28(32)30-31-29(33)27-23-19-21-25-20-17-18-22-26(25)27/h17-23H,2-16,24H2,1H3,(H,30,32)(H,31,33).
What are the key properties of N'-octadecanoylnaphthalene-1-carbohydrazide?
N'-octadecanoylnaphthalene-1-carbohydrazide has a molecular weight of 452.68 g/mol, XLogP of 7.86, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-octadecanoylnaphthalene-1-carbohydrazide is sourced from PubChem (CID 22613560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).