(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide

C19H31NO3 — CID 100741376

IUPAC(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
SMILESCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C19H31NO3/c1-5-8-13-19(4,23-15-7-3)18(21)20-16-9-11-17(12-10-16)22-14-6-2/h9-12H,5-8,13-15H2,1-4H3,(H,20,21)/t19-/m1/s1
InChIKeyALNDMIBMVIJPBA-LJQANCHMSA-N
MW321.46 g/mol
LogP4.79
Rot. Bonds11

About (2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide

(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide (PubChem CID 100741376) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is (2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide.

Molecular Properties

Compound Name(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
PubChem CID100741376
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide
SMILESCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1
InChIInChI=1S/C19H31NO3/c1-5-8-13-19(4,23-15-7-3)18(21)20-16-9-11-17(12-10-16)22-14-6-2/h9-12H,5-8,13-15H2,1-4H3,(H,20,21)/t19-/m1/s1
InChIKeyALNDMIBMVIJPBA-LJQANCHMSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-2-methyl-2-propoxyhexanamide
CID 100741799
(2S)-2-methyl-N-[4-(3-piperidin-1-ylpropoxy)phenyl]-2-propoxyhexanamide
CID 100741866
(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 100742668
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247077
(2R)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726828
(2S)-N-[4-(2-bromoethoxy)phenyl]-2-ethoxy-2-methylhexanamide
CID 100726840
(2S)-2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 100778007
N-[4-[2-(dimethylamino)ethoxy]phenyl]-2-methyl-2-propoxypentanamide
CID 133247067
2-methyl-2-propoxy-N-(6-propoxy-3-pyridinyl)hexanamide
CID 133205914
(2S)-2-methyl-2-propoxy-N-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]heptanamide
CID 100743201
(2S)-2-methoxy-2-methyl-N-(4-propoxyphenyl)pentanamide
CID 100696786
(2S)-2-ethoxy-N-[4-(2-methoxyethoxy)phenyl]-2-methylheptanamide
CID 100728823

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide?
The IUPAC name of (2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide (CID 100741376) is (2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide.
What is the SMILES notation for (2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide?
The canonical SMILES for (2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide is CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)cc1.
What is the InChIKey of (2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide?
The InChIKey is ALNDMIBMVIJPBA-LJQANCHMSA-N. The full InChI is InChI=1S/C19H31NO3/c1-5-8-13-19(4,23-15-7-3)18(21)20-16-9-11-17(12-10-16)22-14-6-2/h9-12H,5-8,13-15H2,1-4H3,(H,20,21)/t19-/m1/s1.
What are the key properties of (2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide?
(2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide has a molecular weight of 321.46 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-propoxy-N-(4-propoxyphenyl)hexanamide is sourced from PubChem (CID 100741376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).