2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide

C22H29NO3 — CID 133246665

IUPAC2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide
SMILESCCCCC(C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H29NO3/c1-4-6-16-22(3,26-5-2)21(24)23-19-12-14-20(15-13-19)25-17-18-10-8-7-9-11-18/h7-15H,4-6,16-17H2,1-3H3,(H,23,24)
InChIKeyXMXLATAAYHNDDB-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.19
Rot. Bonds10

About 2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide

2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide (PubChem CID 133246665) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide.

Molecular Properties

Compound Name2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide
PubChem CID133246665
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide
SMILESCCCCC(C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C22H29NO3/c1-4-6-16-22(3,26-5-2)21(24)23-19-12-14-20(15-13-19)25-17-18-10-8-7-9-11-18/h7-15H,4-6,16-17H2,1-3H3,(H,23,24)
InChIKeyXMXLATAAYHNDDB-UHFFFAOYSA-N
XLogP5.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-methoxy-2-methyl-N-(4-phenylmethoxyphenyl)pentanamide
CID 100696968
(2R)-2-ethoxy-N-(4-methoxyphenyl)-2-methylhexanamide
CID 100726485
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726828
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726840
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823
(2S)-2-ethoxy-N-[4-(2-ethoxyethoxy)phenyl]-2-methylheptanamide
CID 100728845
2-ethoxy-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]hexanamide
CID 133246685
(2S)-2-ethoxy-2-methyl-N-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]hexanamide
CID 100726789
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)phenyl]pentanamide
CID 100724348
(2S)-N-[4-[3-(dimethylamino)propoxy]phenyl]-2-ethoxy-2-methylpentanamide
CID 100724805
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide?
The IUPAC name of 2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide (CID 133246665) is 2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide.
What is the SMILES notation for 2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide?
The canonical SMILES for 2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide is CCCCC(C)(OCC)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide?
The InChIKey is XMXLATAAYHNDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-6-16-22(3,26-5-2)21(24)23-19-12-14-20(15-13-19)25-17-18-10-8-7-9-11-18/h7-15H,4-6,16-17H2,1-3H3,(H,23,24).
What are the key properties of 2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide?
2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide has a molecular weight of 355.48 g/mol, XLogP of 5.19, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-N-(4-phenylmethoxyphenyl)hexanamide is sourced from PubChem (CID 133246665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).