(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide

C19H31NO3 — CID 100725343

IUPAC(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide
SMILESCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1
InChIInChI=1S/C19H31NO3/c1-8-10-19(7,22-9-2)18(21)20-16-11-14(5)17(15(6)12-16)23-13(3)4/h11-13H,8-10H2,1-7H3,(H,20,21)/t19-/m1/s1
InChIKeyGVTZXPIQFSYPAE-LJQANCHMSA-N
MW321.46 g/mol
LogP4.62
Rot. Bonds8

About (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide

(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide (PubChem CID 100725343) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide
PubChem CID100725343
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide
SMILESCCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1
InChIInChI=1S/C19H31NO3/c1-8-10-19(7,22-9-2)18(21)20-16-11-14(5)17(15(6)12-16)23-13(3)4/h11-13H,8-10H2,1-7H3,(H,20,21)/t19-/m1/s1
InChIKeyGVTZXPIQFSYPAE-LJQANCHMSA-N
XLogP4.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722558
(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722553
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698179
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide
CID 100740417
(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 100727452
N-(4-butan-2-yloxy-3-methylphenyl)-2-ethoxy-2-methylpentanamide
CID 133246636
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246333
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-ethoxy-2-methylpropanamide
CID 133246270
(2S)-N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 100722577
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide?
The IUPAC name of (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide (CID 100725343) is (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide.
What is the SMILES notation for (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide?
The canonical SMILES for (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide is CCC[C@@](C)(OCC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1.
What is the InChIKey of (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide?
The InChIKey is GVTZXPIQFSYPAE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H31NO3/c1-8-10-19(7,22-9-2)18(21)20-16-11-14(5)17(15(6)12-16)23-13(3)4/h11-13H,8-10H2,1-7H3,(H,20,21)/t19-/m1/s1.
What are the key properties of (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide?
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide has a molecular weight of 321.46 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide is sourced from PubChem (CID 100725343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).