(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide

C16H25NO3 — CID 100726485

IUPAC(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
SMILESCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-5-7-12-16(3,20-6-2)15(18)17-13-8-10-14(19-4)11-9-13/h8-11H,5-7,12H2,1-4H3,(H,17,18)/t16-/m1/s1
InChIKeyXGQWULBFRGVGOU-MRXNPFEDSA-N
MW279.38 g/mol
LogP3.62
Rot. Bonds8

About (2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide

(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide (PubChem CID 100726485) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
PubChem CID100726485
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
SMILESCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-5-7-12-16(3,20-6-2)15(18)17-13-8-10-14(19-4)11-9-13/h8-11H,5-7,12H2,1-4H3,(H,17,18)/t16-/m1/s1
InChIKeyXGQWULBFRGVGOU-MRXNPFEDSA-N
XLogP3.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 100742668
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726828
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726840
2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide
CID 133246665
(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
CID 100728845
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
CID 100741376
(2S)-N-(6-butoxy-3-pyridinyl)-2-ethoxy-2-methylhexanamide
CID 100776618
(2S)-N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide
CID 100728161
N-(4-cyclopentyloxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246722
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
CID 100760661
(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
CID 100726789

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide?
The IUPAC name of (2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide (CID 100726485) is (2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide.
What is the SMILES notation for (2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide?
The canonical SMILES for (2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide is CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of (2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide?
The InChIKey is XGQWULBFRGVGOU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-7-12-16(3,20-6-2)15(18)17-13-8-10-14(19-4)11-9-13/h8-11H,5-7,12H2,1-4H3,(H,17,18)/t16-/m1/s1.
What are the key properties of (2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide?
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide has a molecular weight of 279.38 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide is sourced from PubChem (CID 100726485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).