2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone

C17H27NO — CID 43796801

IUPAC2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(C)C(C)C(C)C)cc1C
InChIInChI=1S/C17H27NO/c1-11(2)15(6)18(7)10-17(19)16-9-13(4)12(3)8-14(16)5/h8-9,11,15H,10H2,1-7H3
InChIKeyVQLRCXULGUKRRB-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.77
Rot. Bonds5

About 2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone

2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 43796801) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID43796801
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)CN(C)C(C)C(C)C)cc1C
InChIInChI=1S/C17H27NO/c1-11(2)15(6)18(7)10-17(19)16-9-13(4)12(3)8-14(16)5/h8-9,11,15H,10H2,1-7H3
InChIKeyVQLRCXULGUKRRB-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(propan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43219755
2-[bis(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 60649688
1-(2,5-dimethylthiophen-3-yl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796779
2-[ethyl(2-methylpropyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 43795911
2,3-dimethyl-1-(2,4,5-trimethylphenyl)butan-1-one
CID 114975790
2-(dipropylamino)-1-(2,4,5-trimethylphenyl)ethanone
CID 43219591
N-methyl-2-[methyl-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]amino]acetamide
CID 60680858
2-[3-(dimethylamino)propyl-methylamino]-1-(2,4,5-trimethylphenyl)ethanone
CID 63699719
1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
1-(2,5-dimethylphenyl)-2-[methyl(pentan-2-yl)amino]ethanone
CID 43796904
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454
2-[2-hydroxyethyl(propyl)amino]-1-(2,4,5-trimethylphenyl)ethanone
CID 62051328

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone (CID 43796801) is 2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)CN(C)C(C)C(C)C)cc1C.
What is the InChIKey of 2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is VQLRCXULGUKRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-11(2)15(6)18(7)10-17(19)16-9-13(4)12(3)8-14(16)5/h8-9,11,15H,10H2,1-7H3.
What are the key properties of 2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone?
2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 261.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(3-methylbutan-2-yl)amino]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 43796801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).