2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone

C16H25NO — CID 55010786

IUPAC2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(C)C(C)C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-12-8-7-9-14(10-12)15(18)11-17(6)13(2)16(3,4)5/h7-10,13H,11H2,1-6H3
InChIKeyRNJZRFZWKGUNQL-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds4

About 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone

2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone (PubChem CID 55010786) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone
PubChem CID55010786
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CN(C)C(C)C(C)(C)C)c1
InChIInChI=1S/C16H25NO/c1-12-8-7-9-14(10-12)15(18)11-17(6)13(2)16(3,4)5/h7-10,13H,11H2,1-6H3
InChIKeyRNJZRFZWKGUNQL-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60892938
2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62036179
2-(3-methylbutan-2-ylsulfinyl)-1-(3-methylphenyl)ethanone
CID 107767608
N-methyl-2-[methyl-[2-(3-methylphenyl)-2-oxoethyl]amino]acetamide
CID 62051984
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
CID 62030544
2-cyclohexyl-N,2-dimethyl-N-[2-(3-methylphenyl)-2-oxoethyl]propanamide
CID 118603514
1-(3-bromophenyl)-2-[methyl(4-methylpentan-2-yl)amino]ethanone
CID 54999791
2-[(3-bromophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62035559
2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone
CID 55005484
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
CID 54999936
2-[ethyl-[2-(3-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62037275
2-[(4-fluorophenyl)methyl-methylamino]-1-(3-methylphenyl)ethanone
CID 62029617

Frequently Asked Questions

What is the IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone (CID 55010786) is 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CN(C)C(C)C(C)(C)C)c1.
What is the InChIKey of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone?
The InChIKey is RNJZRFZWKGUNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-8-7-9-14(10-12)15(18)11-17(6)13(2)16(3,4)5/h7-10,13H,11H2,1-6H3.
What are the key properties of 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone?
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone has a molecular weight of 247.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 55010786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).