1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone

C17H27NO2 — CID 82102169

IUPAC1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
SMILESCOc1ccccc1C(=O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-16(2,3)12-17(4,5)18-11-14(19)13-9-7-8-10-15(13)20-6/h7-10,18H,11-12H2,1-6H3
InChIKeyOKWXOLGRDIXVCR-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.68
Rot. Bonds6

About 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone

1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone (PubChem CID 82102169) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
PubChem CID82102169
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone
SMILESCOc1ccccc1C(=O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C17H27NO2/c1-16(2,3)12-17(4,5)18-11-14(19)13-9-7-8-10-15(13)20-6/h7-10,18H,11-12H2,1-6H3
InChIKeyOKWXOLGRDIXVCR-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)propan-1-one
CID 82101006
N-[2-(2-methoxyphenyl)-2-oxoethyl]acetamide
CID 12945637
2-(2-fluoroanilino)-1-(2-methoxyphenyl)ethanone
CID 94272670
3-amino-1-(2-methoxyphenyl)-3-methylbutan-1-one
CID 116581224
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
N-[2-(2-methoxyphenyl)-2-oxoethyl]butanamide
CID 94262493
2-hydroxy-3-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 60724227
1-(2-methoxyphenyl)-2-(3-methylanilino)ethanone
CID 94271270
1-[2-(dimethylsulfamoylamino)acetyl]-2-methoxybenzene
CID 94281798
4-[[2-(2-methoxyphenyl)-2-oxoethyl]amino]benzonitrile
CID 94277782
N-(1-bromo-2-methylpropan-2-yl)-2-methoxybenzamide
CID 114308173

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone?
The IUPAC name of 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone (CID 82102169) is 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone is COc1ccccc1C(=O)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone?
The InChIKey is OKWXOLGRDIXVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-16(2,3)12-17(4,5)18-11-14(19)13-9-7-8-10-15(13)20-6/h7-10,18H,11-12H2,1-6H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone?
1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone has a molecular weight of 277.41 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(2,4,4-trimethylpentan-2-ylamino)ethanone is sourced from PubChem (CID 82102169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).