N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide

C19H20N2O2 — CID 66634867

IUPACN-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide
SMILESCCOc1ccc(C#Cc2ccc(CCNC(C)=O)cc2)cn1
InChIInChI=1S/C19H20N2O2/c1-3-23-19-11-10-18(14-21-19)9-8-16-4-6-17(7-5-16)12-13-20-15(2)22/h4-7,10-11,14H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyUMVRWTOZYMGCEE-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.56
Rot. Bonds5

About N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide

N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide (PubChem CID 66634867) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide
PubChem CID66634867
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide
SMILESCCOc1ccc(C#Cc2ccc(CCNC(C)=O)cc2)cn1
InChIInChI=1S/C19H20N2O2/c1-3-23-19-11-10-18(14-21-19)9-8-16-4-6-17(7-5-16)12-13-20-15(2)22/h4-7,10-11,14H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyUMVRWTOZYMGCEE-UHFFFAOYSA-N
XLogP2.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.56
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

N-[2-(4-ethoxy-3-methylphenyl)ethyl]acetamide
CID 110788838
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
N-[2-[5-(4-ethoxyphenyl)-2-pyridinyl]ethyl]acetamide
CID 66635076
methane;N-[(2S)-1-[4-[2-(6-phenoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 159102988
2-ethoxy-5-propylpyridine
CID 57169031
(6-ethoxy-3-pyridinyl)methanol
CID 10630706
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
ethyl (2S)-2-amino-3-(6-ethoxy-3-pyridinyl)propanoate
CID 68817802
5-[2-(4-ethoxyphenyl)ethynyl]-2-(trifluoromethoxy)pyridine
CID 19765730
N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556
[4-(2-acetamidoethyl)phenyl] dihydrogen phosphate
CID 56630055

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide (CID 66634867) is N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide is CCOc1ccc(C#Cc2ccc(CCNC(C)=O)cc2)cn1.
What is the InChIKey of N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide?
The InChIKey is UMVRWTOZYMGCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-23-19-11-10-18(14-21-19)9-8-16-4-6-17(7-5-16)12-13-20-15(2)22/h4-7,10-11,14H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide?
N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 66634867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).