N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide

C25H37N3O2 — CID 70534386

IUPACN-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide
SMILESCCCCCCCCOc1cc(NC(=O)CCCCCC)c(-c2ccccc2)nn1
InChIInChI=1S/C25H37N3O2/c1-3-5-7-9-10-15-19-30-24-20-22(26-23(29)18-14-8-6-4-2)25(28-27-24)21-16-12-11-13-17-21/h11-13,16-17,20H,3-10,14-15,18-19H2,1-2H3,(H,26,27,29)
InChIKeyDQPVMUQDFFBLBW-UHFFFAOYSA-N
MW411.59 g/mol
LogP6.79
Rot. Bonds15

About N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide

N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide (PubChem CID 70534386) has the molecular formula C25H37N3O2 and a molecular weight of 411.59 g/mol. Its IUPAC name is N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide.

Molecular Properties

Compound NameN-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide
PubChem CID70534386
Molecular FormulaC25H37N3O2
Molecular Weight411.59 g/mol
Exact Mass411.29
IUPAC NameN-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide
SMILESCCCCCCCCOc1cc(NC(=O)CCCCCC)c(-c2ccccc2)nn1
InChIInChI=1S/C25H37N3O2/c1-3-5-7-9-10-15-19-30-24-20-22(26-23(29)18-14-8-6-4-2)25(28-27-24)21-16-12-11-13-17-21/h11-13,16-17,20H,3-10,14-15,18-19H2,1-2H3,(H,26,27,29)
InChIKeyDQPVMUQDFFBLBW-UHFFFAOYSA-N
XLogP6.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.59
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-phenylphenyl)octanamide
CID 155558351
N-(5-phenyl-2H-triazol-4-yl)heptanamide
CID 101432719
N-(2-butoxyphenyl)tetradecanamide
CID 54789601
3-(decanoylamino)pyridine-2-carboxylic acid
CID 104740091
nonyl 5-oxo-5-(2-phenylanilino)pentanoate
CID 91725304
octyl N-(3-phenylpyridazin-4-yl)carbamate
CID 70534744
N-(2-ethoxyphenyl)octanamide
CID 4158866
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
2-(hexacosanoylamino)benzoic acid
CID 123304158
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317

Frequently Asked Questions

What is the IUPAC name of N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide?
The IUPAC name of N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide (CID 70534386) is N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide.
What is the SMILES notation for N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide?
The canonical SMILES for N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide is CCCCCCCCOc1cc(NC(=O)CCCCCC)c(-c2ccccc2)nn1.
What is the InChIKey of N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide?
The InChIKey is DQPVMUQDFFBLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2/c1-3-5-7-9-10-15-19-30-24-20-22(26-23(29)18-14-8-6-4-2)25(28-27-24)21-16-12-11-13-17-21/h11-13,16-17,20H,3-10,14-15,18-19H2,1-2H3,(H,26,27,29).
What are the key properties of N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide?
N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide has a molecular weight of 411.59 g/mol, XLogP of 6.79, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-octoxy-3-phenylpyridazin-4-yl)heptanamide is sourced from PubChem (CID 70534386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).