2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide

C21H34N2O — CID 8583845

IUPAC2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCCCCC1
InChIInChI=1S/C21H34N2O/c1-16(2)18-11-10-12-19(17(3)4)21(18)22-20(24)15-23-13-8-6-5-7-9-14-23/h10-12,16-17H,5-9,13-15H2,1-4H3,(H,22,24)
InChIKeyMXPRECNSISMSLV-UHFFFAOYSA-N
MW330.52 g/mol
LogP5.14
Rot. Bonds5

About 2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 8583845) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID8583845
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCCCCC1
InChIInChI=1S/C21H34N2O/c1-16(2)18-11-10-12-19(17(3)4)21(18)22-20(24)15-23-13-8-6-5-7-9-14-23/h10-12,16-17H,5-9,13-15H2,1-4H3,(H,22,24)
InChIKeyMXPRECNSISMSLV-UHFFFAOYSA-N
XLogP5.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,6-di(propan-2-yl)phenyl]-2-[4-(3-hydroxypropyl)piperazin-1-yl]acetamide
CID 22272767
N-[2,6-di(propan-2-yl)phenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 4797794
N-[2,6-di(propan-2-yl)phenyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 2682066
2-(1,4-diazepan-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119906370
2-(4-acetylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8904334
2-[4-[cyclohexyl(methyl)sulfamoyl]piperazin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 46405623
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 110689940
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
3-[1-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperidin-3-yl]propanoic acid
CID 122101339
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 40696125
2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8726239
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 119919377

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 8583845) is 2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCCCCC1.
What is the InChIKey of 2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is MXPRECNSISMSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-16(2)18-11-10-12-19(17(3)4)21(18)22-20(24)15-23-13-8-6-5-7-9-14-23/h10-12,16-17H,5-9,13-15H2,1-4H3,(H,22,24).
What are the key properties of 2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-(azocan-1-yl)-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 330.52 g/mol, XLogP of 5.14, 5 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-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 8583845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).