2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide

C23H33N3O2 — CID 21246514

IUPAC2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide
SMILESCCCCCCCCOc1c/c(=N/C(=O)C(C)(C)C)cnn1-c1ccccc1
InChIInChI=1S/C23H33N3O2/c1-5-6-7-8-9-13-16-28-21-17-19(25-22(27)23(2,3)4)18-24-26(21)20-14-11-10-12-15-20/h10-12,14-15,17-18H,5-9,13,16H2,1-4H3/b25-19-
InChIKeyLFTGJPWTRFMQTR-PLRJNAJWSA-N
MW383.54 g/mol
LogP5.09
Rot. Bonds9

About 2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide

2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide (PubChem CID 21246514) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide
PubChem CID21246514
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide
SMILESCCCCCCCCOc1c/c(=N/C(=O)C(C)(C)C)cnn1-c1ccccc1
InChIInChI=1S/C23H33N3O2/c1-5-6-7-8-9-13-16-28-21-17-19(25-22(27)23(2,3)4)18-24-26(21)20-14-11-10-12-15-20/h10-12,14-15,17-18H,5-9,13,16H2,1-4H3/b25-19-
InChIKeyLFTGJPWTRFMQTR-PLRJNAJWSA-N
XLogP5.09
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.09
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

N-(6-octoxy-1-phenylpyridazin-4-ylidene)acetamide
CID 21246432
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
6-butoxy-N-[2-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-1-phenylpyridazin-4-imine
CID 70393638
N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide
CID 3043183
1-(1-phenyl-6-propoxypyridazin-4-ylidene)-3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]urea
CID 173419000

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide?
The IUPAC name of 2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide (CID 21246514) is 2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide is CCCCCCCCOc1c/c(=N/C(=O)C(C)(C)C)cnn1-c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide?
The InChIKey is LFTGJPWTRFMQTR-PLRJNAJWSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-5-6-7-8-9-13-16-28-21-17-19(25-22(27)23(2,3)4)18-24-26(21)20-14-11-10-12-15-20/h10-12,14-15,17-18H,5-9,13,16H2,1-4H3/b25-19-.
What are the key properties of 2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide?
2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide has a molecular weight of 383.54 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(6-octoxy-1-phenylpyridazin-4-ylidene)propanamide is sourced from PubChem (CID 21246514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).