(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide

C21H35NO3 — CID 100740417

IUPAC(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide
SMILESCCCO[C@](C)(CCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1
InChIInChI=1S/C21H35NO3/c1-8-11-21(7,24-12-9-2)20(23)22-18-13-15(4)19(16(5)14-18)25-17(6)10-3/h13-14,17H,8-12H2,1-7H3,(H,22,23)/t17-,21+/m0/s1
InChIKeyMYAKJDJGZGIVRS-LAUBAEHRSA-N
MW349.52 g/mol
LogP5.40
Rot. Bonds10

About (2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide

(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide (PubChem CID 100740417) has the molecular formula C21H35NO3 and a molecular weight of 349.52 g/mol. Its IUPAC name is (2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide.

Molecular Properties

Compound Name(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide
PubChem CID100740417
Molecular FormulaC21H35NO3
Molecular Weight349.52 g/mol
Exact Mass349.26
IUPAC Name(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide
SMILESCCCO[C@](C)(CCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1
InChIInChI=1S/C21H35NO3/c1-8-11-21(7,24-12-9-2)20(23)22-18-13-15(4)19(16(5)14-18)25-17(6)10-3/h13-14,17H,8-12H2,1-7H3,(H,22,23)/t17-,21+/m0/s1
InChIKeyMYAKJDJGZGIVRS-LAUBAEHRSA-N
XLogP5.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.52
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246333
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100725343
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-ethoxy-2-methylpropanamide
CID 133246270
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100696366
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698179
N-(4-butan-2-yloxy-3-methylphenyl)-2-ethoxy-2-methylpentanamide
CID 133246636
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
CID 133254721
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712023
(2R)-N-(4-methoxy-3,5-dimethylphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100739126
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739252
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide
CID 100736672
(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722553

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide?
The IUPAC name of (2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide (CID 100740417) is (2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide.
What is the SMILES notation for (2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide?
The canonical SMILES for (2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide is CCCO[C@](C)(CCC)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1.
What is the InChIKey of (2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide?
The InChIKey is MYAKJDJGZGIVRS-LAUBAEHRSA-N. The full InChI is InChI=1S/C21H35NO3/c1-8-11-21(7,24-12-9-2)20(23)22-18-13-15(4)19(16(5)14-18)25-17(6)10-3/h13-14,17H,8-12H2,1-7H3,(H,22,23)/t17-,21+/m0/s1.
What are the key properties of (2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide?
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide has a molecular weight of 349.52 g/mol, XLogP of 5.40, 10 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-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide is sourced from PubChem (CID 100740417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).