N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide

C16H18N2O2 — CID 18121246

IUPACN'-(3-methylbutanoyl)naphthalene-1-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O2/c1-11(2)10-15(19)17-18-16(20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYTUDMDKDXYZMGR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.65
Rot. Bonds3

About N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide

N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide (PubChem CID 18121246) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methylbutanoyl)naphthalene-1-carbohydrazide
PubChem CID18121246
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN'-(3-methylbutanoyl)naphthalene-1-carbohydrazide
SMILESCC(C)CC(=O)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C16H18N2O2/c1-11(2)10-15(19)17-18-16(20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyYTUDMDKDXYZMGR-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 46423856
N'-(3-methylbutanoyl)-2-(trifluoromethyl)benzohydrazide
CID 39951306
N'-octadecanoylnaphthalene-1-carbohydrazide
CID 22613560
N'-[2-(1-hydroxycyclopentyl)acetyl]naphthalene-1-carbohydrazide
CID 111540138
(2S)-2-(naphthalene-1-carbonylamino)propanoic acid
CID 11637328
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
N'-(4-phenylbenzoyl)naphthalene-1-carbohydrazide
CID 3127351
methyl 2-methyl-3-naphthalen-1-yl-3-oxopropanoate
CID 62715188
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N-(2,4-dimethylpentan-3-ylideneamino)naphthalene-1-carboxamide
CID 4079400
methyl 2-(naphthalene-1-carbonylamino)acetate
CID 19789843
2,3-dimethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 912695

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide?
The IUPAC name of N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide (CID 18121246) is N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide?
The canonical SMILES for N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide is CC(C)CC(=O)NNC(=O)c1cccc2ccccc12.
What is the InChIKey of N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide?
The InChIKey is YTUDMDKDXYZMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)10-15(19)17-18-16(20)14-9-5-7-12-6-3-4-8-13(12)14/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide?
N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide has a molecular weight of 270.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbutanoyl)naphthalene-1-carbohydrazide is sourced from PubChem (CID 18121246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).