N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide

C16H26N2O3 — CID 142248002

IUPACN-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide
SMILESCCC(C)(CCNC)CCC(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C16H26N2O3/c1-4-16(2,7-8-17-3)6-5-15(21)18-12-9-13(19)11-14(20)10-12/h9-11,17,19-20H,4-8H2,1-3H3,(H,18,21)
InChIKeyIKXMUYLYKXGDBH-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.84
Rot. Bonds8

About N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide

N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide (PubChem CID 142248002) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide.

Molecular Properties

Compound NameN-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide
PubChem CID142248002
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC NameN-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide
SMILESCCC(C)(CCNC)CCC(=O)Nc1cc(O)cc(O)c1
InChIInChI=1S/C16H26N2O3/c1-4-16(2,7-8-17-3)6-5-15(21)18-12-9-13(19)11-14(20)10-12/h9-11,17,19-20H,4-8H2,1-3H3,(H,18,21)
InChIKeyIKXMUYLYKXGDBH-UHFFFAOYSA-N
XLogP2.84
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide?
The IUPAC name of N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide (CID 142248002) is N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide.
What is the SMILES notation for N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide?
The canonical SMILES for N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide is CCC(C)(CCNC)CCC(=O)Nc1cc(O)cc(O)c1.
What is the InChIKey of N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide?
The InChIKey is IKXMUYLYKXGDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-16(2,7-8-17-3)6-5-15(21)18-12-9-13(19)11-14(20)10-12/h9-11,17,19-20H,4-8H2,1-3H3,(H,18,21).
What are the key properties of N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide?
N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide has a molecular weight of 294.39 g/mol, XLogP of 2.84, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydroxyphenyl)-4-ethyl-4-methyl-6-(methylamino)hexanamide is sourced from PubChem (CID 142248002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).