N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide

C29H25N3O4 — CID 3107416

IUPACN-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide
SMILESCOc1cc2c(cc1NC(=O)CC(C)=NNC(=O)Cc1cccc3ccccc13)oc1ccccc12
InChIInChI=1S/C29H25N3O4/c1-18(31-32-29(34)15-20-10-7-9-19-8-3-4-11-21(19)20)14-28(33)30-24-17-26-23(16-27(24)35-2)22-12-5-6-13-25(22)36-26/h3-13,16-17H,14-15H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyRHWIAIJUVDWYAZ-UHFFFAOYSA-N
MW479.54 g/mol
LogP5.81
Rot. Bonds7

About N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide

N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide (PubChem CID 3107416) has the molecular formula C29H25N3O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide.

Molecular Properties

Compound NameN-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide
PubChem CID3107416
Molecular FormulaC29H25N3O4
Molecular Weight479.54 g/mol
Exact Mass479.18
IUPAC NameN-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide
SMILESCOc1cc2c(cc1NC(=O)CC(C)=NNC(=O)Cc1cccc3ccccc13)oc1ccccc12
InChIInChI=1S/C29H25N3O4/c1-18(31-32-29(34)15-20-10-7-9-19-8-3-4-11-21(19)20)14-28(33)30-24-17-26-23(16-27(24)35-2)22-12-5-6-13-25(22)36-26/h3-13,16-17H,14-15H2,1-2H3,(H,30,33)(H,32,34)
InChIKeyRHWIAIJUVDWYAZ-UHFFFAOYSA-N
XLogP5.81
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.54
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydroxy-N-[(Z)-[4-[(2-methoxydibenzofuran-3-yl)amino]-4-oxobutan-2-ylidene]amino]benzamide
CID 98139648
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CID 86976519
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
2-[[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]-methylamino]-N-methylacetamide
CID 78826575
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
(2R)-2-[2-(hydroxymethyl)anilino]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2421462
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
N-(2-methoxydibenzofuran-3-yl)-2-piperidin-1-ylacetamide
CID 2697422
N-(2-methoxydibenzofuran-3-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 55488412
[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 2510908
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55696455
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 3873495

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide?
The IUPAC name of N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide (CID 3107416) is N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide.
What is the SMILES notation for N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide?
The canonical SMILES for N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide is COc1cc2c(cc1NC(=O)CC(C)=NNC(=O)Cc1cccc3ccccc13)oc1ccccc12.
What is the InChIKey of N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide?
The InChIKey is RHWIAIJUVDWYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O4/c1-18(31-32-29(34)15-20-10-7-9-19-8-3-4-11-21(19)20)14-28(33)30-24-17-26-23(16-27(24)35-2)22-12-5-6-13-25(22)36-26/h3-13,16-17H,14-15H2,1-2H3,(H,30,33)(H,32,34).
What are the key properties of N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide?
N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide has a molecular weight of 479.54 g/mol, XLogP of 5.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxydibenzofuran-3-yl)-3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanamide is sourced from PubChem (CID 3107416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).