5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide

C22H29NO3 — CID 91038269

IUPAC5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide
SMILESCC(C)Oc1ccccc1CNC(=O)CCCC(C)c1ccc(O)cc1
InChIInChI=1S/C22H29NO3/c1-16(2)26-21-9-5-4-8-19(21)15-23-22(25)10-6-7-17(3)18-11-13-20(24)14-12-18/h4-5,8-9,11-14,16-17,24H,6-7,10,15H2,1-3H3,(H,23,25)
InChIKeyBGKPJEVNVBWAGT-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.77
Rot. Bonds9

About 5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide

5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide (PubChem CID 91038269) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide.

Molecular Properties

Compound Name5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide
PubChem CID91038269
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide
SMILESCC(C)Oc1ccccc1CNC(=O)CCCC(C)c1ccc(O)cc1
InChIInChI=1S/C22H29NO3/c1-16(2)26-21-9-5-4-8-19(21)15-23-22(25)10-6-7-17(3)18-11-13-20(24)14-12-18/h4-5,8-9,11-14,16-17,24H,6-7,10,15H2,1-3H3,(H,23,25)
InChIKeyBGKPJEVNVBWAGT-UHFFFAOYSA-N
XLogP4.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 83294447
N-methyl-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 125144882
N-[(2-ethoxyphenyl)methyl]-4-(4-hydroxyphenyl)sulfanylpentanamide
CID 91267866
N-[3-oxo-3-[(2-propan-2-yloxyphenyl)methylamino]propyl]adamantane-1-carboxamide
CID 55907325
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55907455
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(2-propan-2-yloxyphenyl)methyl]urea
CID 55931991
2-[ethyl(methyl)amino]-2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]acetamide
CID 56521548
6-amino-N-[[2-(difluoromethoxy)phenyl]methyl]hexanamide
CID 61252840
N-[(4-fluorophenyl)methyl]-N'-[(2-propan-2-yloxyphenyl)methyl]oxamide
CID 124505025
N-(2-methylpropyl)-2-[(2-propan-2-yloxyphenyl)methylamino]acetamide
CID 115621831
4-(methylamino)-N-[[2-(3-methylbutoxy)phenyl]methyl]butanamide;hydrochloride
CID 119759011
2-[(2-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 54959628

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide?
The IUPAC name of 5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide (CID 91038269) is 5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide.
What is the SMILES notation for 5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide?
The canonical SMILES for 5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide is CC(C)Oc1ccccc1CNC(=O)CCCC(C)c1ccc(O)cc1.
What is the InChIKey of 5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide?
The InChIKey is BGKPJEVNVBWAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-16(2)26-21-9-5-4-8-19(21)15-23-22(25)10-6-7-17(3)18-11-13-20(24)14-12-18/h4-5,8-9,11-14,16-17,24H,6-7,10,15H2,1-3H3,(H,23,25).
What are the key properties of 5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide?
5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide has a molecular weight of 355.48 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxyphenyl)-N-[(2-propan-2-yloxyphenyl)methyl]hexanamide is sourced from PubChem (CID 91038269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).