2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone

C16H25NO2 — CID 54999936

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
SMILESCCC(C)N(CCOC)CC(=O)c1cccc(C)c1
InChIInChI=1S/C16H25NO2/c1-5-14(3)17(9-10-19-4)12-16(18)15-8-6-7-13(2)11-15/h6-8,11,14H,5,9-10,12H2,1-4H3
InChIKeyKGUJLABSHCLHKZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.92
Rot. Bonds8

About 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone

2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone (PubChem CID 54999936) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
PubChem CID54999936
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone
SMILESCCC(C)N(CCOC)CC(=O)c1cccc(C)c1
InChIInChI=1S/C16H25NO2/c1-5-14(3)17(9-10-19-4)12-16(18)15-8-6-7-13(2)11-15/h6-8,11,14H,5,9-10,12H2,1-4H3
InChIKeyKGUJLABSHCLHKZ-UHFFFAOYSA-N
XLogP2.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(butyl)amino]-1-(3-methylphenyl)ethanone
CID 55005484
2-[butan-2-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanone
CID 43795970
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(3-methylphenyl)ethanone
CID 62030544
3-bromo-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 54946264
1-(3-methoxyphenyl)-2-[propan-2-yl(propyl)amino]ethanone
CID 43795420
N'-butan-2-yl-N'-(2-methoxyethyl)-1-(3-methylphenyl)ethane-1,2-diamine
CID 54999518
5-methoxy-1-(3-methylphenyl)pentane-1,3-dione
CID 61308941
2-[ethyl(1-methoxypropan-2-yl)amino]-1-(3-fluorophenyl)ethanone
CID 55010646
3-amino-N-butan-2-yl-N-(2-methoxyethyl)benzamide
CID 55001467
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(3-methylphenyl)ethanone
CID 55010786
2-[ethyl(2-methoxyethyl)amino]-1-(3-fluorophenyl)ethanone
CID 54949360
3-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethyl-1-phenylpropan-1-one
CID 63193802

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone (CID 54999936) is 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone is CCC(C)N(CCOC)CC(=O)c1cccc(C)c1.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone?
The InChIKey is KGUJLABSHCLHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-14(3)17(9-10-19-4)12-16(18)15-8-6-7-13(2)11-15/h6-8,11,14H,5,9-10,12H2,1-4H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone?
2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 54999936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).