N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide

C20H27N3O2 — CID 21246432

IUPACN-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide
SMILESCCCCCCCCOc1c/c(=N/C(C)=O)cnn1-c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-3-4-5-6-7-11-14-25-20-15-18(22-17(2)24)16-21-23(20)19-12-9-8-10-13-19/h8-10,12-13,15-16H,3-7,11,14H2,1-2H3/b22-18-
InChIKeyDBMYSZOPIRQHGV-PYCFMQQDSA-N
MW341.46 g/mol
LogP4.06
Rot. Bonds9

About N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide

N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide (PubChem CID 21246432) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide.

Molecular Properties

Compound NameN-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide
PubChem CID21246432
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide
SMILESCCCCCCCCOc1c/c(=N/C(C)=O)cnn1-c1ccccc1
InChIInChI=1S/C20H27N3O2/c1-3-4-5-6-7-11-14-25-20-15-18(22-17(2)24)16-21-23(20)19-12-9-8-10-13-19/h8-10,12-13,15-16H,3-7,11,14H2,1-2H3/b22-18-
InChIKeyDBMYSZOPIRQHGV-PYCFMQQDSA-N
XLogP4.06
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide
CID 21246514
N-(6-octoxy-1-phenylpyridazin-4-ylidene)prop-2-enamide
CID 21246510
pentyl 2-[(6-butoxy-1-phenylpyridazin-4-ylidene)amino]-2-oxoacetate
CID 70393050
(3Z)-1-methyl-3-(6-octoxy-1-phenylpyridazin-4-ylidene)thiourea
CID 21246392
N-(6-pentoxy-1-phenylpyridazin-4-ylidene)cyclopentanecarboxamide
CID 21246280
1-(6-butoxy-1-phenylpyridazin-4-ylidene)-3-propan-2-ylurea
CID 54231979
(3,5-dimethoxyphenyl) N-(6-butoxy-1-phenylpyridazin-4-ylidene)carbamate
CID 54242410
2-fluoro-N-(1-phenyl-6-propoxypyridazin-4-ylidene)benzamide
CID 21246249
(1Z)-1-(6-butoxy-1-phenylpyridazin-4-ylidene)-3-propan-2-ylthiourea
CID 21246332
N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide
CID 3043183
6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine
CID 70393638
1-(1-phenyl-6-propoxypyridazin-4-ylidene)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]urea
CID 173419000

Frequently Asked Questions

What is the IUPAC name of N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide?
The IUPAC name of N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide (CID 21246432) is N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide.
What is the SMILES notation for N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide?
The canonical SMILES for N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide is CCCCCCCCOc1c/c(=N/C(C)=O)cnn1-c1ccccc1.
What is the InChIKey of N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide?
The InChIKey is DBMYSZOPIRQHGV-PYCFMQQDSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-4-5-6-7-11-14-25-20-15-18(22-17(2)24)16-21-23(20)19-12-9-8-10-13-19/h8-10,12-13,15-16H,3-7,11,14H2,1-2H3/b22-18-.
What are the key properties of N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide?
N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide has a molecular weight of 341.46 g/mol, XLogP of 4.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide is sourced from PubChem (CID 21246432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).