(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide

C18H29NO3 — CID 100722553

IUPAC(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
SMILESCCO[C@@](C)(CC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1
InChIInChI=1S/C18H29NO3/c1-8-18(7,21-9-2)17(20)19-15-10-13(5)16(14(6)11-15)22-12(3)4/h10-12H,8-9H2,1-7H3,(H,19,20)/t18-/m0/s1
InChIKeyHQWSUPFFEAMDRD-SFHVURJKSA-N
MW307.43 g/mol
LogP4.23
Rot. Bonds7

About (2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide

(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide (PubChem CID 100722553) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
PubChem CID100722553
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
SMILESCCO[C@@](C)(CC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1
InChIInChI=1S/C18H29NO3/c1-8-18(7,21-9-2)17(20)19-15-10-13(5)16(14(6)11-15)22-12(3)4/h10-12H,8-9H2,1-7H3,(H,19,20)/t18-/m0/s1
InChIKeyHQWSUPFFEAMDRD-SFHVURJKSA-N
XLogP4.23
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.23
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
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylpentanamide
CID 100725343
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698179
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537
(2S)-N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 100722577
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-ethoxy-2-methylpropanamide
CID 133246270
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 100737758
2-cyclopropyl-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxypropanamide
CID 133246250
(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 100727452
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide
CID 100740417
N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 100690476

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide?
The IUPAC name of (2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide (CID 100722553) is (2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide.
What is the SMILES notation for (2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide?
The canonical SMILES for (2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide is CCO[C@@](C)(CC)C(=O)Nc1cc(C)c(OC(C)C)c(C)c1.
What is the InChIKey of (2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide?
The InChIKey is HQWSUPFFEAMDRD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29NO3/c1-8-18(7,21-9-2)17(20)19-15-10-13(5)16(14(6)11-15)22-12(3)4/h10-12H,8-9H2,1-7H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide?
(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide has a molecular weight of 307.43 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide is sourced from PubChem (CID 100722553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).