8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide

C22H37NO4 — CID 118710952

IUPAC8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide
SMILESCCCCCc1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1
InChIInChI=1S/C22H37NO4/c1-3-4-8-11-19-14-20(25)16-21(15-19)27-13-10-7-5-6-9-12-22(26)23-18(2)17-24/h14-16,18,24-25H,3-13,17H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyMFZXUEJVICGPCI-GOSISDBHSA-N
MW379.54 g/mol
LogP4.34
Rot. Bonds15

About 8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide

8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide (PubChem CID 118710952) has the molecular formula C22H37NO4 and a molecular weight of 379.54 g/mol. Its IUPAC name is 8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide.

Molecular Properties

Compound Name8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide
PubChem CID118710952
Molecular FormulaC22H37NO4
Molecular Weight379.54 g/mol
Exact Mass379.27
IUPAC Name8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide
SMILESCCCCCc1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1
InChIInChI=1S/C22H37NO4/c1-3-4-8-11-19-14-20(25)16-21(15-19)27-13-10-7-5-6-9-12-22(26)23-18(2)17-24/h14-16,18,24-25H,3-13,17H2,1-2H3,(H,23,26)/t18-/m1/s1
InChIKeyMFZXUEJVICGPCI-GOSISDBHSA-N
XLogP4.34
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.54
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-16-(3-hydroxy-5-pentylphenoxy)hexadecanamide
CID 11605290
N-cyclopropyl-11-(3-hydroxy-5-pentylphenoxy)undecanamide
CID 11654304
6-(3-hydroxy-5-pentylphenoxy)-N-(4-hydroxyphenyl)hexanamide
CID 11494742
N-(1-adamantyl)-11-(3-hydroxy-5-pentylphenoxy)undecanamide
CID 118710965
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
cyclopropanamine;11-(3-hydroxy-5-pentylphenoxy)undecanoic acid
CID 69037430
3-ethoxy-5-octadecylphenol
CID 118876083
5-[3-[5-oxo-5-(pentylamino)pentoxy]-5-propylphenoxy]-N-pentylpentanamide
CID 90738357
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
3-(3-hydroxy-5-pentylphenoxy)-5-pentylphenol
CID 22559423

Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide?
The IUPAC name of 8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide (CID 118710952) is 8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide.
What is the SMILES notation for 8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide?
The canonical SMILES for 8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide is CCCCCc1cc(O)cc(OCCCCCCCC(=O)N[C@H](C)CO)c1.
What is the InChIKey of 8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide?
The InChIKey is MFZXUEJVICGPCI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H37NO4/c1-3-4-8-11-19-14-20(25)16-21(15-19)27-13-10-7-5-6-9-12-22(26)23-18(2)17-24/h14-16,18,24-25H,3-13,17H2,1-2H3,(H,23,26)/t18-/m1/s1.
What are the key properties of 8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide?
8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide has a molecular weight of 379.54 g/mol, XLogP of 4.34, 15 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxy-5-pentylphenoxy)-N-[(2R)-1-hydroxypropan-2-yl]octanamide is sourced from PubChem (CID 118710952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).