2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one

C16H25NO2 — CID 71154738

IUPAC2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one
SMILESCCNC(Cc1ccc(OC)cc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-6-17-14(15(18)16(2,3)4)11-12-7-9-13(19-5)10-8-12/h7-10,14,17H,6,11H2,1-5H3
InChIKeyHTUPRFFOMNAHFX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds6

About 2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one

2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one (PubChem CID 71154738) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one
PubChem CID71154738
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one
SMILESCCNC(Cc1ccc(OC)cc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H25NO2/c1-6-17-14(15(18)16(2,3)4)11-12-7-9-13(19-5)10-8-12/h7-10,14,17H,6,11H2,1-5H3
InChIKeyHTUPRFFOMNAHFX-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoic acid
CID 70050979
methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate
CID 175334706
methyl (2S)-2-(ethylamino)-3-[4-(4-hydroxyphenoxy)phenyl]propanoate
CID 140972892
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521
methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
CID 10955237
3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
tert-butyl (2S)-3-(4-hydroxyphenyl)-2-[(4-methoxyphenyl)methylamino]propanoate
CID 178183360
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
tert-butyl N-[1-[methoxy(methyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 21475832
tert-butyl N-[1-(4-methoxyphenyl)-3-oxopent-4-yn-2-yl]carbamate
CID 145193446
tert-butyl N-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]carbamate
CID 140888192
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one?
The IUPAC name of 2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one (CID 71154738) is 2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one is CCNC(Cc1ccc(OC)cc1)C(=O)C(C)(C)C.
What is the InChIKey of 2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one?
The InChIKey is HTUPRFFOMNAHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-17-14(15(18)16(2,3)4)11-12-7-9-13(19-5)10-8-12/h7-10,14,17H,6,11H2,1-5H3.
What are the key properties of 2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one?
2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one has a molecular weight of 263.38 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(4-methoxyphenyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 71154738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).