N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide

C19H31NO3 — CID 133254721

IUPACN-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
SMILESCCCCC(C)(OCCC)C(=O)Nc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C19H31NO3/c1-7-9-10-19(5,23-11-8-2)18(21)20-16-12-14(3)17(22-6)15(4)13-16/h12-13H,7-11H2,1-6H3,(H,20,21)
InChIKeyNFJLZNGVPBRJJK-UHFFFAOYSA-N
MW321.46 g/mol
LogP4.63
Rot. Bonds9

About N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide

N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide (PubChem CID 133254721) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide.

Molecular Properties

Compound NameN-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
PubChem CID133254721
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC NameN-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide
SMILESCCCCC(C)(OCCC)C(=O)Nc1cc(C)c(OC)c(C)c1
InChIInChI=1S/C19H31NO3/c1-7-9-10-19(5,23-11-8-2)18(21)20-16-12-14(3)17(22-6)15(4)13-16/h12-13H,7-11H2,1-6H3,(H,20,21)
InChIKeyNFJLZNGVPBRJJK-UHFFFAOYSA-N
XLogP4.63
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 ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-methoxy-N-(4-methoxy-3,5-dimethylphenyl)-2-methylheptanamide
CID 100702276
(2R)-N-(4-methoxy-3,5-dimethylphenyl)-2,4-dimethyl-2-propoxypentanamide
CID 100739126
N-(4-butan-2-yloxy-3,5-dimethylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246333
(2R)-N-[3,5-dimethyl-4-(2-methylpropoxy)phenyl]-2-methyl-2-propoxyheptanamide
CID 100712023
N-(4-methoxy-3-methylphenyl)-2-methyl-2-propoxyheptanamide
CID 133246319
N-(3,5-dimethyl-4-propoxyphenyl)-2-ethoxy-2-methylheptanamide
CID 133246762
(2R)-N-(4-butoxy-3,5-dimethylphenyl)-2-methoxy-2-methylheptanamide
CID 100702377
(2R)-N-[4-[(2S)-butan-2-yl]oxy-3,5-dimethylphenyl]-2-methyl-2-propoxypentanamide
CID 100740417
(2R)-N-(4-methoxyphenyl)-2-methyl-2-propoxyheptanamide
CID 100742668
(2R)-N-(6-butoxy-5-methyl-3-pyridinyl)-2-methyl-2-propoxyheptanamide
CID 100778205
N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 133246537
(2S)-N-(4-butoxy-3,5-dimethylphenyl)-2-ethoxy-2-methylbutanamide
CID 100722577

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide?
The IUPAC name of N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide (CID 133254721) is N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide.
What is the SMILES notation for N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide?
The canonical SMILES for N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide is CCCCC(C)(OCCC)C(=O)Nc1cc(C)c(OC)c(C)c1.
What is the InChIKey of N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide?
The InChIKey is NFJLZNGVPBRJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-7-9-10-19(5,23-11-8-2)18(21)20-16-12-14(3)17(22-6)15(4)13-16/h12-13H,7-11H2,1-6H3,(H,20,21).
What are the key properties of N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide?
N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide has a molecular weight of 321.46 g/mol, XLogP of 4.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3,5-dimethylphenyl)-2-methyl-2-propoxyhexanamide is sourced from PubChem (CID 133254721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).