(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide

C18H29NO3 — CID 100696262

IUPAC(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
SMILESCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OC)cc1C
InChIInChI=1S/C18H29NO3/c1-8-22-16-13(4)9-15(10-14(16)5)19-17(20)18(6,21-7)11-12(2)3/h9-10,12H,8,11H2,1-7H3,(H,19,20)/t18-/m0/s1
InChIKeyPSOPOEYKCMCRJG-SFHVURJKSA-N
MW307.43 g/mol
LogP4.09
Rot. Bonds7

About (2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide

(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide (PubChem CID 100696262) has the molecular formula C18H29NO3 and a molecular weight of 307.43 g/mol. Its IUPAC name is (2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
PubChem CID100696262
Molecular FormulaC18H29NO3
Molecular Weight307.43 g/mol
Exact Mass307.21
IUPAC Name(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
SMILESCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OC)cc1C
InChIInChI=1S/C18H29NO3/c1-8-22-16-13(4)9-15(10-14(16)5)19-17(20)18(6,21-7)11-12(2)3/h9-10,12H,8,11H2,1-7H3,(H,19,20)/t18-/m0/s1
InChIKeyPSOPOEYKCMCRJG-SFHVURJKSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696250
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methoxy-2,4-dimethylpentanamide
CID 100696366
(2R)-N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696440
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
N-(4-ethoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 100690476
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739252
(2R)-N-(4-methoxy-3,5-dimethylphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100739126
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133246592
(2R)-N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-2-methoxy-2-methylpentanamide
CID 100698179
(2S)-N-(3-chloro-4-ethoxyphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696673
N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methoxy-4-methyl-2-(2-methylpropyl)pentanamide
CID 100699350
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide?
The IUPAC name of (2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide (CID 100696262) is (2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide is CCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OC)cc1C.
What is the InChIKey of (2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide?
The InChIKey is PSOPOEYKCMCRJG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H29NO3/c1-8-22-16-13(4)9-15(10-14(16)5)19-17(20)18(6,21-7)11-12(2)3/h9-10,12H,8,11H2,1-7H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide?
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide has a molecular weight of 307.43 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 100696262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).