N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide

C18H22N2O2 — CID 122196356

IUPACN-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide
SMILESCOc1cccc(CCCCc2cccc(NC(C)=O)n2)c1
InChIInChI=1S/C18H22N2O2/c1-14(21)19-18-12-6-10-16(20-18)9-4-3-7-15-8-5-11-17(13-15)22-2/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,19,20,21)
InChIKeyXDRFUYKQQWLRBT-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.61
Rot. Bonds7

About N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide

N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide (PubChem CID 122196356) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide
PubChem CID122196356
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide
SMILESCOc1cccc(CCCCc2cccc(NC(C)=O)n2)c1
InChIInChI=1S/C18H22N2O2/c1-14(21)19-18-12-6-10-16(20-18)9-4-3-7-15-8-5-11-17(13-15)22-2/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,19,20,21)
InChIKeyXDRFUYKQQWLRBT-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide (CID 122196356) is N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide is COc1cccc(CCCCc2cccc(NC(C)=O)n2)c1.
What is the InChIKey of N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide?
The InChIKey is XDRFUYKQQWLRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(21)19-18-12-6-10-16(20-18)9-4-3-7-15-8-5-11-17(13-15)22-2/h5-6,8,10-13H,3-4,7,9H2,1-2H3,(H,19,20,21).
What are the key properties of N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide?
N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-methoxyphenyl)butyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 122196356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).