1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone

C16H25NO2 — CID 94978957

IUPAC1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H25NO2/c1-7-17-10-14(18)12-9-13(16(3,4)5)15(19-6)8-11(12)2/h8-9,17H,7,10H2,1-6H3
InChIKeyDOMGYIBKOCNKNV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds5

About 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone

1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone (PubChem CID 94978957) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone
PubChem CID94978957
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1cc(C(C)(C)C)c(OC)cc1C
InChIInChI=1S/C16H25NO2/c1-7-17-10-14(18)12-9-13(16(3,4)5)15(19-6)8-11(12)2/h8-9,17H,7,10H2,1-6H3
InChIKeyDOMGYIBKOCNKNV-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethanone
CID 94978289
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
CID 82053745
5-tert-butyl-N-(cyanomethyl)-4-methoxy-2-methylbenzamide
CID 82484656
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
CID 82053751
N-(2-acetamidoethyl)-5-tert-butyl-4-methoxy-2-methylbenzamide
CID 110761838
2-(2-hydroxyethylamino)-1-(4-methoxy-2,5-dimethylphenyl)ethanone
CID 98015033
1-(4-methoxy-2,5-dimethylphenyl)-2-(prop-2-ynylamino)ethanone
CID 116589496
(E)-3-(5-tert-butyl-4-methoxy-2-methylphenyl)but-2-enoic acid
CID 82302729
2-(5-tert-butyl-4-methoxy-2-methylphenyl)acetamide
CID 82496629
1-[4-(5-tert-butyl-4-methoxy-2-methylbenzoyl)piperazin-1-yl]ethanone
CID 110761833
4,5-ditert-butyl-N-ethyl-2-methoxybenzamide
CID 155787502
1-(5-tert-butyl-2,4-dimethoxyphenyl)ethanone
CID 23035413

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone (CID 94978957) is 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone is CCNCC(=O)c1cc(C(C)(C)C)c(OC)cc1C.
What is the InChIKey of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone?
The InChIKey is DOMGYIBKOCNKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-7-17-10-14(18)12-9-13(16(3,4)5)15(19-6)8-11(12)2/h8-9,17H,7,10H2,1-6H3.
What are the key properties of 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone?
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone has a molecular weight of 263.38 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-(ethylamino)ethanone is sourced from PubChem (CID 94978957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).