(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide

C18H29NO3 — CID 100737758

IUPAC(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C18H29NO3/c1-7-11-21-18(6,8-2)17(20)19-15-9-10-16(14(5)12-15)22-13(3)4/h9-10,12-13H,7-8,11H2,1-6H3,(H,19,20)/t18-/m0/s1
InChIKeyJDTRQPPXCPMFNG-SFHVURJKSA-N
MW307.43 g/mol
LogP4.32
Rot. Bonds8

About (2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide

(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide (PubChem CID 100737758) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide
PubChem CID100737758
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide
SMILESCCCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C18H29NO3/c1-7-11-21-18(6,8-2)17(20)19-15-9-10-16(14(5)12-15)22-13(3)4/h9-10,12-13H,7-8,11H2,1-6H3,(H,19,20)/t18-/m0/s1
InChIKeyJDTRQPPXCPMFNG-SFHVURJKSA-N
XLogP4.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-ethoxy-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)hexanamide
CID 100727452
2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 133203827
N-[4-[(2R)-butan-2-yl]oxy-3-methylphenyl]-2-methyl-2-propoxypropanamide
CID 100736672
2-methyl-N-[3-methyl-4-(2-methylpropoxy)phenyl]-2-propoxyheptanamide
CID 133246325
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
(2R)-N-(3-cyano-4-ethoxyphenyl)-2-methyl-2-propoxybutanamide
CID 100764215
ethyl 2-ethoxy-5-[[(2R)-2-methyl-2-propoxybutanoyl]amino]benzoate
CID 100764118
N-(4-butan-2-yloxy-3-methylphenyl)-2-ethoxy-2-methylpentanamide
CID 133246636
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
methyl 5-[(2-methyl-2-propoxybutanoyl)amino]-2-propoxybenzoate
CID 133204025
(2S)-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2-methyl-2-propoxybutanamide
CID 100763997
(2S)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-ethoxy-2-methylbutanamide
CID 100722553

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide?
The IUPAC name of (2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide (CID 100737758) is (2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide.
What is the SMILES notation for (2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide?
The canonical SMILES for (2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide is CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC(C)C)c(C)c1.
What is the InChIKey of (2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide?
The InChIKey is JDTRQPPXCPMFNG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29NO3/c1-7-11-21-18(6,8-2)17(20)19-15-9-10-16(14(5)12-15)22-13(3)4/h9-10,12-13H,7-8,11H2,1-6H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide?
(2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide has a molecular weight of 307.43 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)-2-propoxybutanamide is sourced from PubChem (CID 100737758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).