2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone

C18H29NO2 — CID 107870506

IUPAC2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone
SMILESCC(C)CCN(CCC(C)C)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H29NO2/c1-14(2)9-11-19(12-10-15(3)4)13-18(21)16-5-7-17(20)8-6-16/h5-8,14-15,20H,9-13H2,1-4H3
InChIKeyXSJASRBQIPWAHE-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.97
Rot. Bonds9

About 2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone

2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone (PubChem CID 107870506) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone
PubChem CID107870506
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone
SMILESCC(C)CCN(CCC(C)C)CC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H29NO2/c1-14(2)9-11-19(12-10-15(3)4)13-18(21)16-5-7-17(20)8-6-16/h5-8,14-15,20H,9-13H2,1-4H3
InChIKeyXSJASRBQIPWAHE-UHFFFAOYSA-N
XLogP3.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[bis(2-methylpropyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 60678370
4-hydroxy-N-(4-hydroxyphenyl)-N-(3-methylbutyl)benzamide
CID 168861520
1-(4-hydroxyphenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796166
2-[[2-(4-hydroxyphenyl)-2-oxoethyl]-propylamino]-N,N-dimethylacetamide
CID 62030928
1-(4-hydroxyphenyl)-2-[methyl(propyl)amino]ethanone
CID 43795614
3-[[2-(4-hydroxyphenyl)-2-oxoethyl]-methylamino]-2-methylpropanenitrile
CID 62051504
3-[bis(3-methylbutyl)amino]-1-(4-methoxyphenyl)propan-1-one
CID 71671663
2-[bis(3-methylbutyl)amino]-1-(5-chlorothiophen-2-yl)ethanone
CID 107870518
2-[bis(3-methylbutyl)amino]-1-(3-bromothiophen-2-yl)ethanone
CID 107870487
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-4-methylpentanamide
CID 53360343
2-[1-(4-chlorophenyl)ethyl-methylamino]-1-(4-hydroxyphenyl)ethanone
CID 62980072
ethane;1-(4-hydroxyphenyl)propan-1-one
CID 144611752

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone?
The IUPAC name of 2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone (CID 107870506) is 2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone.
What is the SMILES notation for 2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone?
The canonical SMILES for 2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone is CC(C)CCN(CCC(C)C)CC(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone?
The InChIKey is XSJASRBQIPWAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14(2)9-11-19(12-10-15(3)4)13-18(21)16-5-7-17(20)8-6-16/h5-8,14-15,20H,9-13H2,1-4H3.
What are the key properties of 2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone?
2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone has a molecular weight of 291.44 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-methylbutyl)amino]-1-(4-hydroxyphenyl)ethanone is sourced from PubChem (CID 107870506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).