2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one

C15H23NO3 — CID 82100905

IUPAC2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one
SMILESCCC(C)NC(C)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-6-10(2)16-11(3)15(17)12-7-8-13(18-4)14(9-12)19-5/h7-11,16H,6H2,1-5H3
InChIKeyARBBBNCTAMPJBF-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.66
Rot. Bonds7

About 2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one

2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one (PubChem CID 82100905) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one
PubChem CID82100905
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one
SMILESCCC(C)NC(C)C(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H23NO3/c1-6-10(2)16-11(3)15(17)12-7-8-13(18-4)14(9-12)19-5/h7-11,16H,6H2,1-5H3
InChIKeyARBBBNCTAMPJBF-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butan-2-ylamino)-1-(2-methoxyphenyl)propan-1-one
CID 82100962
1-(3,4-dimethoxyphenyl)-2-methylpropan-1-one
CID 26422
N-[(2S)-butan-2-yl]-3-ethoxy-4-methoxybenzamide
CID 94335981
2-(1-hydroxybutan-2-ylamino)-1-(4-methoxy-3-methylphenyl)propan-1-one
CID 82100693
methyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61024813
ethyl 2-(butan-2-ylamino)-2-(3,4-dimethoxyphenyl)acetate
CID 61023762
3-(3,4-dimethoxyphenyl)-2-methyl-3-oxopropanoic acid
CID 116918171
1-(3,4-dimethoxyphenyl)-2-[2-(2-hydroxyethoxy)ethylamino]propan-1-one
CID 82100927
N-[(2S)-butan-2-yl]-4-methoxy-3-methylbenzamide
CID 40922017
N-[(2R)-2-(ethylamino)propyl]-3,4-dimethoxybenzamide;hydrochloride
CID 120655264
2-bromo-1-(3,4-dimethoxyphenyl)pentan-1-one
CID 11514957
N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
CID 112501675

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one?
The IUPAC name of 2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one (CID 82100905) is 2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one is CCC(C)NC(C)C(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one?
The InChIKey is ARBBBNCTAMPJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-6-10(2)16-11(3)15(17)12-7-8-13(18-4)14(9-12)19-5/h7-11,16H,6H2,1-5H3.
What are the key properties of 2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one?
2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one has a molecular weight of 265.35 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-1-(3,4-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 82100905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).