2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide

C17H23ClN2O2 — CID 21078391

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide
SMILESCCCC#CC(C)(C)NC(=O)C(CC)Oc1cncc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-5-7-8-9-17(3,4)20-16(21)15(6-2)22-14-10-13(18)11-19-12-14/h10-12,15H,5-7H2,1-4H3,(H,20,21)
InChIKeyZFTTXPDNRWUVTO-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.59
Rot. Bonds6

About 2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide

2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide (PubChem CID 21078391) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide
PubChem CID21078391
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide
SMILESCCCC#CC(C)(C)NC(=O)C(CC)Oc1cncc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-5-7-8-9-17(3,4)20-16(21)15(6-2)22-14-10-13(18)11-19-12-14/h10-12,15H,5-7H2,1-4H3,(H,20,21)
InChIKeyZFTTXPDNRWUVTO-UHFFFAOYSA-N
XLogP3.59
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,5-dichlorophenoxy)-N-(5-dimethylsilyloxy-2,6,6-trimethylhept-3-yn-2-yl)butanamide
CID 173117126
N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide
CID 11631239
(E)-4-[2-(3,5-dichlorophenoxy)butanoylamino]-4-methylpent-2-enoic acid
CID 178117843
2-(3-ethylquinolin-6-yl)oxy-N-(5-methoxy-2-methylpent-3-yn-2-yl)butanamide
CID 89499119
(E)-4-[[(2S)-2-(3-bromo-5-chlorophenoxy)butanoyl]amino]-4-methylpent-2-enoic acid
CID 178117908
methyl (E)-4-[2-(3-chloro-5-fluorophenoxy)butanoylamino]-4-methylpent-2-enoate
CID 178117837
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3,5-dichlorophenoxy)-N-(2-methylpent-3-yn-2-yl)-2-methylsulfinylacetamide
CID 67004987
(E)-4-[2-(4-chloro-3,5-difluorophenoxy)butanoylamino]-4-methylpent-2-enoic acid
CID 178117900
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
2-(3,5-dichlorophenoxy)butanoyl chloride
CID 13239466
N-tert-butyl-2-(4-ethylphenoxy)butanamide
CID 53288787

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide (CID 21078391) is 2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide is CCCC#CC(C)(C)NC(=O)C(CC)Oc1cncc(Cl)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide?
The InChIKey is ZFTTXPDNRWUVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-5-7-8-9-17(3,4)20-16(21)15(6-2)22-14-10-13(18)11-19-12-14/h10-12,15H,5-7H2,1-4H3,(H,20,21).
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide?
2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide has a molecular weight of 322.84 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-N-(2-methylhept-3-yn-2-yl)butanamide is sourced from PubChem (CID 21078391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).