(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide

C19H31NO3 — CID 100727452

IUPAC(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
SMILESCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C19H31NO3/c1-7-9-12-19(6,22-8-2)18(21)20-16-10-11-17(15(5)13-16)23-14(3)4/h10-11,13-14H,7-9,12H2,1-6H3,(H,20,21)/t19-/m0/s1
InChIKeyWQQDWEAZJJURBB-IBGZPJMESA-N
MW321.46 g/mol
LogP4.71
Rot. Bonds9

About (2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide

(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide (PubChem CID 100727452) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is (2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
PubChem CID100727452
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
SMILESCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C19H31NO3/c1-7-9-12-19(6,22-8-2)18(21)20-16-10-11-17(15(5)13-16)23-14(3)4/h10-11,13-14H,7-9,12H2,1-6H3,(H,20,21)/t19-/m0/s1
InChIKeyWQQDWEAZJJURBB-IBGZPJMESA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-yloxy-3-methylphenyl)-2-ethoxy-2-methylpentanamide
CID 133246636
ethyl 5-[(2-ethoxy-2-methylheptanoyl)amino]-2-propan-2-yloxybenzoate
CID 133203899
(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 100737758
N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 133246040
(2S)-N-(4-ethoxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 100700557
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100725343
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785
(2S)-N-(3-cyano-4-propan-2-yloxyphenyl)-2-methoxy-2-methylhexanamide
CID 100754949
2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
CID 133246325
ethyl 2-[(2S)-butan-2-yl]oxy-5-[[(2R)-2-ethoxy-2-methylheptanoyl]amino]benzoate
CID 100761247
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide?
The IUPAC name of (2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide (CID 100727452) is (2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide.
What is the SMILES notation for (2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide?
The canonical SMILES for (2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide is CCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)C)c(C)c1.
What is the InChIKey of (2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide?
The InChIKey is WQQDWEAZJJURBB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H31NO3/c1-7-9-12-19(6,22-8-2)18(21)20-16-10-11-17(15(5)13-16)23-14(3)4/h10-11,13-14H,7-9,12H2,1-6H3,(H,20,21)/t19-/m0/s1.
What are the key properties of (2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide?
(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide has a molecular weight of 321.46 g/mol, XLogP of 4.71, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide is sourced from PubChem (CID 100727452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).