N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide

C15H23NO3 — CID 10220952

IUPACN-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NCCCCCCO
InChIInChI=1S/C15H23NO3/c17-12-6-2-1-5-11-16-15(19)10-9-13-7-3-4-8-14(13)18/h3-4,7-8,17-18H,1-2,5-6,9-12H2,(H,16,19)
InChIKeyFPTQQMBJPYMHLD-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.99
Rot. Bonds9

About N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide

N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide (PubChem CID 10220952) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide
PubChem CID10220952
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NCCCCCCO
InChIInChI=1S/C15H23NO3/c17-12-6-2-1-5-11-16-15(19)10-9-13-7-3-4-8-14(13)18/h3-4,7-8,17-18H,1-2,5-6,9-12H2,(H,16,19)
InChIKeyFPTQQMBJPYMHLD-UHFFFAOYSA-N
XLogP1.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide (CID 10220952) is N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide is O=C(CCc1ccccc1O)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide?
The InChIKey is FPTQQMBJPYMHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-12-6-2-1-5-11-16-15(19)10-9-13-7-3-4-8-14(13)18/h3-4,7-8,17-18H,1-2,5-6,9-12H2,(H,16,19).
What are the key properties of N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide?
N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide has a molecular weight of 265.35 g/mol, XLogP of 1.99, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 10220952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).