(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide

C17H27NO3 — CID 100700557

IUPAC(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
SMILESCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1
InChIInChI=1S/C17H27NO3/c1-6-8-11-17(4,20-5)16(19)18-14-9-10-15(21-7-2)13(3)12-14/h9-10,12H,6-8,11H2,1-5H3,(H,18,19)/t17-/m0/s1
InChIKeyNHQOGCIXHLPBCT-KRWDZBQOSA-N
MW293.41 g/mol
LogP3.93
Rot. Bonds8

About (2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide

(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide (PubChem CID 100700557) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
PubChem CID100700557
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
SMILESCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1
InChIInChI=1S/C17H27NO3/c1-6-8-11-17(4,20-5)16(19)18-14-9-10-15(21-7-2)13(3)12-14/h9-10,12H,6-8,11H2,1-5H3,(H,18,19)/t17-/m0/s1
InChIKeyNHQOGCIXHLPBCT-KRWDZBQOSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butoxy-3-methylphenyl)-2-methoxy-2-methylpentanamide
CID 133245973
N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 133246040
(2S)-2-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylpentanamide
CID 100697822
ethyl 2-methoxy-5-[[(2S)-2-methoxy-2-methylhexanoyl]amino]benzoate
CID 100754818
(2R)-N-(6-ethoxy-5-methyl-3-pyridinyl)-2-methoxy-2-methylhexanamide
CID 100774797
(2S)-N-(4-ethoxyphenyl)-2-methoxy-2-methylheptanamide
CID 100701232
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
CID 100760661
(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 100727452
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
methyl 2-butoxy-5-[(2-methoxy-2-methylheptanoyl)amino]benzoate
CID 133229844

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide?
The IUPAC name of (2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide (CID 100700557) is (2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide.
What is the SMILES notation for (2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide?
The canonical SMILES for (2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide is CCCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C)c1.
What is the InChIKey of (2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide?
The InChIKey is NHQOGCIXHLPBCT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27NO3/c1-6-8-11-17(4,20-5)16(19)18-14-9-10-15(21-7-2)13(3)12-14/h9-10,12H,6-8,11H2,1-5H3,(H,18,19)/t17-/m0/s1.
What are the key properties of (2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide?
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide has a molecular weight of 293.41 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide is sourced from PubChem (CID 100700557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).