2-(azocan-1-yl)-N-(3-methylphenyl)acetamide

C16H24N2O — CID 2655272

IUPAC2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCCCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-14-8-7-9-15(12-14)17-16(19)13-18-10-5-3-2-4-6-11-18/h7-9,12H,2-6,10-11,13H2,1H3,(H,17,19)
InChIKeyMGDYRZFLFOQIBH-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.20
Rot. Bonds3

About 2-(azocan-1-yl)-N-(3-methylphenyl)acetamide

2-(azocan-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 2655272) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID2655272
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)CN2CCCCCCC2)c1
InChIInChI=1S/C16H24N2O/c1-14-8-7-9-15(12-14)17-16(19)13-18-10-5-3-2-4-6-11-18/h7-9,12H,2-6,10-11,13H2,1H3,(H,17,19)
InChIKeyMGDYRZFLFOQIBH-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 34905400
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
N-(4-fluorophenyl)-2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9435872
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685
3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
tert-butyl 4-[2-(3-methylanilino)-2-oxoethyl]-1,4-diazepane-1-carboxylate
CID 171130205
2-(azocan-1-yl)-N-(3-methylsulfonylphenyl)acetamide
CID 8680067
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-(3-methylphenyl)acetamide (CID 2655272) is 2-(azocan-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)CN2CCCCCCC2)c1.
What is the InChIKey of 2-(azocan-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is MGDYRZFLFOQIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14-8-7-9-15(12-14)17-16(19)13-18-10-5-3-2-4-6-11-18/h7-9,12H,2-6,10-11,13H2,1H3,(H,17,19).
What are the key properties of 2-(azocan-1-yl)-N-(3-methylphenyl)acetamide?
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-1-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 2655272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).