(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide

C19H31NO3 — CID 100723719

IUPAC(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
SMILESCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C
InChIInChI=1S/C19H31NO3/c1-7-11-22-17-10-9-16(12-15(17)5)20-18(21)19(6,23-8-2)13-14(3)4/h9-10,12,14H,7-8,11,13H2,1-6H3,(H,20,21)/t19-/m1/s1
InChIKeyLCESIPBYXDJVOJ-LJQANCHMSA-N
MW321.46 g/mol
LogP4.56
Rot. Bonds9

About (2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide

(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide (PubChem CID 100723719) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is (2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
PubChem CID100723719
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide
SMILESCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C
InChIInChI=1S/C19H31NO3/c1-7-11-22-17-10-9-16(12-15(17)5)20-18(21)19(6,23-8-2)13-14(3)4/h9-10,12,14H,7-8,11,13H2,1-6H3,(H,20,21)/t19-/m1/s1
InChIKeyLCESIPBYXDJVOJ-LJQANCHMSA-N
XLogP4.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-(4-ethoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 133246576
(2R)-2-ethoxy-N-(4-methoxy-3-methylphenyl)-2,4-dimethylpentanamide
CID 100723689
(2S)-N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100723924
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3-methylphenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100723785
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propoxyphenyl)pentanamide
CID 100722896
methyl 2-butoxy-5-[(2-ethoxy-2,4-dimethylpentanoyl)amino]benzoate
CID 133230017
(2R)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-ethoxy-2,4-dimethylpentanamide
CID 100724136
(2R)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759539
(2S)-N-(4-butoxy-3-cyanophenyl)-2-ethoxy-2,4-dimethylpentanamide
CID 100759542
ethyl 2-ethoxy-5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]benzoate
CID 100759422
2-ethoxy-N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,4-dimethylpentanamide
CID 133230010
(2S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2,4-dimethyl-2-propoxypentanamide
CID 100739354

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide?
The IUPAC name of (2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide (CID 100723719) is (2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide.
What is the SMILES notation for (2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide?
The canonical SMILES for (2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide is CCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCC)cc1C.
What is the InChIKey of (2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide?
The InChIKey is LCESIPBYXDJVOJ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H31NO3/c1-7-11-22-17-10-9-16(12-15(17)5)20-18(21)19(6,23-8-2)13-14(3)4/h9-10,12,14H,7-8,11,13H2,1-6H3,(H,20,21)/t19-/m1/s1.
What are the key properties of (2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide?
(2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide has a molecular weight of 321.46 g/mol, XLogP of 4.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-2,4-dimethyl-N-(3-methyl-4-propoxyphenyl)pentanamide is sourced from PubChem (CID 100723719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).