N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide

C14H20N2O2 — CID 10848171

IUPACN-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide
SMILESCCCCO/C=C/c1cc(C)cnc1NC(C)=O
InChIInChI=1S/C14H20N2O2/c1-4-5-7-18-8-6-13-9-11(2)10-15-14(13)16-12(3)17/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,17)/b8-6+
InChIKeyWZYOYWBBMCFRGI-SOFGYWHQSA-N
MW248.33 g/mol
LogP3.14
Rot. Bonds6

About N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide

N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide (PubChem CID 10848171) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide
PubChem CID10848171
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide
SMILESCCCCO/C=C/c1cc(C)cnc1NC(C)=O
InChIInChI=1S/C14H20N2O2/c1-4-5-7-18-8-6-13-9-11(2)10-15-14(13)16-12(3)17/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,17)/b8-6+
InChIKeyWZYOYWBBMCFRGI-SOFGYWHQSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-butoxyethenyl)-5-methyl-2-pyridinyl]acetamide
CID 10610573
N-[5-[(E)-2-butoxyethenyl]-4,6-dimethyl-2-pyridinyl]acetamide
CID 10706623
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
2-N-(2-butoxyethyl)-5-methylpyridine-2,3-diamine
CID 66278004
ethyl 5-(3-butoxy-3-oxoprop-1-enyl)-2-methoxypyridine-4-carboxylate
CID 153407762
N-[3-(3,5-dichloro-4-methoxyphenyl)-5-methyl-2-pyridinyl]acetamide
CID 171677285
4-[(E)-2-butoxyethenyl]-2,5-dichloropyrimidine
CID 46934604
heptane;methyl N-(5-methylpyrimidin-2-yl)carbamate
CID 143703085
(4-acetyloxy-2,5-dibutoxyphenyl) acetate
CID 101485815
3-(3-ethoxy-3-oxoprop-1-enyl)-5-methylpyridine-2-carboxylic acid
CID 169480663
[(E)-3-(2-chloro-5-methyl-3-pyridinyl)prop-2-enyl] acetate
CID 44517077
4-(4-acetylphenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 35344400

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide (CID 10848171) is N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide is CCCCO/C=C/c1cc(C)cnc1NC(C)=O.
What is the InChIKey of N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide?
The InChIKey is WZYOYWBBMCFRGI-SOFGYWHQSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-5-7-18-8-6-13-9-11(2)10-15-14(13)16-12(3)17/h6,8-10H,4-5,7H2,1-3H3,(H,15,16,17)/b8-6+.
What are the key properties of N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide?
N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-2-butoxyethenyl]-5-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 10848171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).