(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide

C20H33NO3 — CID 100723924

IUPAC(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C
InChIInChI=1S/C20H33NO3/c1-8-10-23-18-15(5)11-17(12-16(18)6)21-19(22)20(7,24-9-2)13-14(3)4/h11-12,14H,8-10,13H2,1-7H3,(H,21,22)/t20-/m0/s1
InChIKeyXDMYMURWWYIREN-FQEVSTJZSA-N
MW335.49 g/mol
LogP4.87
Rot. Bonds9

About (2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide

(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide (PubChem CID 100723924) has the molecular formula C20H33NO3 and a molecular weight of 335.49 g/mol. Its IUPAC name is (2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide.

Molecular Properties

Compound Name(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
PubChem CID100723924
Molecular FormulaC20H33NO3
Molecular Weight335.49 g/mol
Exact Mass335.25
IUPAC Name(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
SMILESCCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C
InChIInChI=1S/C20H33NO3/c1-8-10-23-18-15(5)11-17(12-16(18)6)21-19(22)20(7,24-9-2)13-14(3)4/h11-12,14H,8-10,13H2,1-7H3,(H,21,22)/t20-/m0/s1
InChIKeyXDMYMURWWYIREN-FQEVSTJZSA-N
XLogP4.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739252
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
CID 100723719
(2R)-N-(4-methoxy-3,5-dimethylphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100739126
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 133246592
N-(3,5-dimethyl-4-propoxyphenyl)-4-methyl-2-(2-methylpropyl)-2-propoxypentanamide
CID 100741200
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537
(2R)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696250
(2S)-N-(4-ethoxy-3,5-dimethylphenyl)-2-methoxy-2,4-dimethylpentanamide
CID 100696262
(2S)-N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 100722577
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
CID 100722896
2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The IUPAC name of (2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide (CID 100723924) is (2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide.
What is the SMILES notation for (2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The canonical SMILES for (2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide is CCCOc1c(C)cc(NC(=O)[C@](C)(CC(C)C)OCC)cc1C.
What is the InChIKey of (2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
The InChIKey is XDMYMURWWYIREN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H33NO3/c1-8-10-23-18-15(5)11-17(12-16(18)6)21-19(22)20(7,24-9-2)13-14(3)4/h11-12,14H,8-10,13H2,1-7H3,(H,21,22)/t20-/m0/s1.
What are the key properties of (2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide?
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide has a molecular weight of 335.49 g/mol, XLogP of 4.87, 9 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-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide is sourced from PubChem (CID 100723924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).