2-(4-hydroxyphenyl)-2-methoxyhexanamide

C13H19NO3 — CID 91014466

IUPAC2-(4-hydroxyphenyl)-2-methoxyhexanamide
SMILESCCCCC(OC)(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-3-4-9-13(17-2,12(14)16)10-5-7-11(15)8-6-10/h5-8,15H,3-4,9H2,1-2H3,(H2,14,16)
InChIKeyKECAECDMNNEDTC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds6

About 2-(4-hydroxyphenyl)-2-methoxyhexanamide

2-(4-hydroxyphenyl)-2-methoxyhexanamide (PubChem CID 91014466) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-2-methoxyhexanamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-2-methoxyhexanamide
PubChem CID91014466
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-(4-hydroxyphenyl)-2-methoxyhexanamide
SMILESCCCCC(OC)(C(N)=O)c1ccc(O)cc1
InChIInChI=1S/C13H19NO3/c1-3-4-9-13(17-2,12(14)16)10-5-7-11(15)8-6-10/h5-8,15H,3-4,9H2,1-2H3,(H2,14,16)
InChIKeyKECAECDMNNEDTC-UHFFFAOYSA-N
XLogP1.91
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-2-(4-hydroxyphenyl)hexanamide
CID 70049047
1-O-butyl 3-O-methyl 2-amino-2-(4-hydroxyphenyl)propanedioate
CID 68730894
4-[1-hydroxy-1-(4-hydroxyphenyl)hexyl]phenol
CID 176549598
4-[3-(4-hydroxyphenyl)-2-methylheptan-3-yl]phenol
CID 118338638
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
propyl 2,2-bis(4-hydroxyphenyl)pentanoate
CID 139611128
propyl 2,2-bis(4-hydroxyphenyl)propanoate
CID 139611231
undecyl 5-(4-hydroxyphenyl)-5-methylhexanoate
CID 70465048
2-(1H-imidazol-2-yl)-2-methoxypentanamide
CID 140540842
benzene-1,4-diol;ethyl carbamate;methoxymethane
CID 174872836
(2S)-2-amino-2-(4-hydroxyphenyl)propanamide
CID 68535967
5-(dimethylamino)-2,2-bis(4-hydroxyphenyl)pentanamide
CID 57275546

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-2-methoxyhexanamide?
The IUPAC name of 2-(4-hydroxyphenyl)-2-methoxyhexanamide (CID 91014466) is 2-(4-hydroxyphenyl)-2-methoxyhexanamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-2-methoxyhexanamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-2-methoxyhexanamide is CCCCC(OC)(C(N)=O)c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-2-methoxyhexanamide?
The InChIKey is KECAECDMNNEDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-4-9-13(17-2,12(14)16)10-5-7-11(15)8-6-10/h5-8,15H,3-4,9H2,1-2H3,(H2,14,16).
What are the key properties of 2-(4-hydroxyphenyl)-2-methoxyhexanamide?
2-(4-hydroxyphenyl)-2-methoxyhexanamide has a molecular weight of 237.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-2-methoxyhexanamide is sourced from PubChem (CID 91014466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).