(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide

C20H33NO3 — CID 100723785

IUPAC(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
SMILESCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1
InChIInChI=1S/C20H33NO3/c1-8-16(6)24-18-11-10-17(12-15(18)5)21-19(22)20(7,23-9-2)13-14(3)4/h10-12,14,16H,8-9,13H2,1-7H3,(H,21,22)/t16-,20+/m0/s1
InChIKeyOGQAIXCAZSYWFX-OXJNMPFZSA-N
MW335.49 g/mol
LogP4.95
Rot. Bonds9

About (2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide

(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide (PubChem CID 100723785) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
PubChem CID100723785
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
SMILESCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1
InChIInChI=1S/C20H33NO3/c1-8-16(6)24-18-11-10-17(12-15(18)5)21-19(22)20(7,23-9-2)13-14(3)4/h10-12,14,16H,8-9,13H2,1-7H3,(H,21,22)/t16-,20+/m0/s1
InChIKeyOGQAIXCAZSYWFX-OXJNMPFZSA-N
XLogP4.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.95
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
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100726213
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
2-bromo-N-(4-butan-2-yloxy-3-methylphenyl)-2-methylpropanamide
CID 133252242
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide
CID 100736672
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2,2,2-trifluoroacetamide
CID 100688491
N-(4-butan-2-yloxy-3-methylphenyl)-2,2,2-trichloroacetamide
CID 133245821
N-(4-butan-2-yloxy-3-methylphenyl)-2-methoxy-2-methylhexanamide
CID 133246040
N-(3-cyano-4-propan-2-yloxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133230029
(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 100727452

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide?
The IUPAC name of (2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide (CID 100723785) is (2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide is CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C)c1.
What is the InChIKey of (2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide?
The InChIKey is OGQAIXCAZSYWFX-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H33NO3/c1-8-16(6)24-18-11-10-17(12-15(18)5)21-19(22)20(7,23-9-2)13-14(3)4/h10-12,14,16H,8-9,13H2,1-7H3,(H,21,22)/t16-,20+/m0/s1.
What are the key properties of (2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide?
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide has a molecular weight of 335.49 g/mol, XLogP of 4.95, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 100723785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).