2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide

C17H26N2O2 — CID 4800986

IUPAC2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCCCCCC1
InChIInChI=1S/C17H26N2O2/c1-14-8-9-16(21-2)15(12-14)18-17(20)13-19-10-6-4-3-5-7-11-19/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,18,20)
InChIKeyIZICVIVKTKWNHK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.21
Rot. Bonds4

About 2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide

2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 4800986) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID4800986
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCOc1ccc(C)cc1NC(=O)CN1CCCCCCC1
InChIInChI=1S/C17H26N2O2/c1-14-8-9-16(21-2)15(12-14)18-17(20)13-19-10-6-4-3-5-7-11-19/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,18,20)
InChIKeyIZICVIVKTKWNHK-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide;hydrochloride
CID 119906331
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780
N-(5-acetamido-2-methoxyphenyl)-2-(azocan-1-yl)acetamide
CID 8680244
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 115874121
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 33073903
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
N-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 94824962
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
CID 8894862
2-(4-benzylpiperidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 2464605
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-(2-methoxy-5-methylphenyl)-2-[(2S)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 25470768
2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methoxy-5-methylphenyl)acetamide
CID 1447930

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide (CID 4800986) is 2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide is COc1ccc(C)cc1NC(=O)CN1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is IZICVIVKTKWNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-8-9-16(21-2)15(12-14)18-17(20)13-19-10-6-4-3-5-7-11-19/h8-9,12H,3-7,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of 2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide?
2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 4800986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).