(2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide

C20H33NO3 — CID 100738354

IUPAC(2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
SMILESCCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1
InChIInChI=1S/C20H33NO3/c1-7-13-23-20(6,14-15(3)4)19(22)21-17-9-11-18(12-10-17)24-16(5)8-2/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,21,22)/t16-,20+/m1/s1
InChIKeyFRWYUYYABHGRTG-UZLBHIALSA-N
MW335.49 g/mol
LogP5.03
Rot. Bonds10

About (2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide

(2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide (PubChem CID 100738354) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide.

Molecular Properties

Compound Name(2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
PubChem CID100738354
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name(2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
SMILESCCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1
InChIInChI=1S/C20H33NO3/c1-7-13-23-20(6,14-15(3)4)19(22)21-17-9-11-18(12-10-17)24-16(5)8-2/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,21,22)/t16-,20+/m1/s1
InChIKeyFRWYUYYABHGRTG-UZLBHIALSA-N
XLogP5.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[4-[(2S)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100738347
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
CID 100722896
(2R)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722919
N-(4-butan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 133246278
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722911
2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 133203827
2,4-dimethyl-2-propoxy-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentanamide
CID 133247011
2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2,4-dimethylpentanamide
CID 133246574
(2R)-N-[3-chloro-4-[(2R)-1-methoxypropan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739322
(2S)-2,4-dimethyl-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]-2-propoxypentanamide
CID 125061163
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785
(2R)-2,4-dimethyl-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-2-propoxypentanamide
CID 100738867

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide?
The IUPAC name of (2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide (CID 100738354) is (2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide.
What is the SMILES notation for (2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide?
The canonical SMILES for (2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide is CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)cc1.
What is the InChIKey of (2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide?
The InChIKey is FRWYUYYABHGRTG-UZLBHIALSA-N. The full InChI is InChI=1S/C20H33NO3/c1-7-13-23-20(6,14-15(3)4)19(22)21-17-9-11-18(12-10-17)24-16(5)8-2/h9-12,15-16H,7-8,13-14H2,1-6H3,(H,21,22)/t16-,20+/m1/s1.
What are the key properties of (2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide?
(2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide has a molecular weight of 335.49 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[(2R)-butan-2-yl]oxyphenyl]-2,4-dimethyl-2-propoxypentanamide is sourced from PubChem (CID 100738354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).