N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide

C23H24N2O4 — CID 26621633

IUPACN'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1OC
InChIInChI=1S/C23H24N2O4/c1-3-4-14-29-20-13-12-17(15-21(20)28-2)22(26)24-25-23(27)19-11-7-9-16-8-5-6-10-18(16)19/h5-13,15H,3-4,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRDAGVQQJRGBCLP-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.10
Rot. Bonds7

About N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide

N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide (PubChem CID 26621633) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
PubChem CID26621633
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1OC
InChIInChI=1S/C23H24N2O4/c1-3-4-14-29-20-13-12-17(15-21(20)28-2)22(26)24-25-23(27)19-11-7-9-16-8-5-6-10-18(16)19/h5-13,15H,3-4,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRDAGVQQJRGBCLP-UHFFFAOYSA-N
XLogP4.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-benzoyl-4-butoxy-3-methoxybenzohydrazide
CID 9440054
N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
N'-(4-butoxy-3-methoxybenzoyl)-3-ethoxy-4-methoxybenzohydrazide
CID 24553442
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-triethoxybenzohydrazide
CID 25442347
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
4-butoxy-N'-(3-cyanobenzoyl)-3-methoxybenzohydrazide
CID 9440115
N'-(4-butoxy-3-methoxybenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 26784336
N'-(4-butoxy-3-methoxybenzoyl)-2-methyl-6-phenylpyridine-3-carbohydrazide
CID 24531698
N'-(3-methoxy-4-propoxybenzoyl)-2-methylquinoline-4-carbohydrazide
CID 26621803
N'-(4-butoxy-3-methoxybenzoyl)-2-hydroxy-4-methylbenzohydrazide
CID 31715670
N'-(4-butoxy-3-methoxybenzoyl)furan-3-carbohydrazide
CID 25442733
N'-(4-butoxy-3-methoxybenzoyl)-3,4,5-trimethoxy-2-nitrobenzohydrazide
CID 24514989

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide?
The IUPAC name of N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide (CID 26621633) is N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide?
The canonical SMILES for N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1OC.
What is the InChIKey of N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide?
The InChIKey is RDAGVQQJRGBCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-3-4-14-29-20-13-12-17(15-21(20)28-2)22(26)24-25-23(27)19-11-7-9-16-8-5-6-10-18(16)19/h5-13,15H,3-4,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide?
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide has a molecular weight of 392.46 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide is sourced from PubChem (CID 26621633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).