2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

C19H30N2O — CID 16577746

IUPAC2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C2CCCCCC2)c(C)c1
InChIInChI=1S/C19H30N2O/c1-14-11-15(2)19(16(3)12-14)20-18(22)13-21(4)17-9-7-5-6-8-10-17/h11-12,17H,5-10,13H2,1-4H3,(H,20,22)
InChIKeyCASAWBMGDYHDAY-UHFFFAOYSA-N
MW302.46 g/mol
LogP4.20
Rot. Bonds4

About 2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 16577746) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID16577746
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C2CCCCCC2)c(C)c1
InChIInChI=1S/C19H30N2O/c1-14-11-15(2)19(16(3)12-14)20-18(22)13-21(4)17-9-7-5-6-8-10-17/h11-12,17H,5-10,13H2,1-4H3,(H,20,22)
InChIKeyCASAWBMGDYHDAY-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[cyclobutylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 171998632
2-[acetyl(cycloheptyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113166376
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
2-[cyclohexyl(methyl)amino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 18154358
2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36803387
methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate
CID 1169072
N-[(1S,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 11939314
2-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 11930399
(2R)-N-(cyclohexylcarbamoyl)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]propanamide
CID 9338305
2-[cyclopropyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113147951

Frequently Asked Questions

What is the IUPAC name of 2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 16577746) is 2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(C)C2CCCCCC2)c(C)c1.
What is the InChIKey of 2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is CASAWBMGDYHDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14-11-15(2)19(16(3)12-14)20-18(22)13-21(4)17-9-7-5-6-8-10-17/h11-12,17H,5-10,13H2,1-4H3,(H,20,22).
What are the key properties of 2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 302.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 16577746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).