N-(6-hydroxyhexyl)-2-phenoxypropanamide

C15H23NO3 — CID 103919352

IUPACN-(6-hydroxyhexyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCCCCCO
InChIInChI=1S/C15H23NO3/c1-13(19-14-9-5-4-6-10-14)15(18)16-11-7-2-3-8-12-17/h4-6,9-10,13,17H,2-3,7-8,11-12H2,1H3,(H,16,18)
InChIKeyQDVBGNMWPBGWRJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.12
Rot. Bonds9

About N-(6-hydroxyhexyl)-2-phenoxypropanamide

N-(6-hydroxyhexyl)-2-phenoxypropanamide (PubChem CID 103919352) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-2-phenoxypropanamide
PubChem CID103919352
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(6-hydroxyhexyl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCCCCCCO
InChIInChI=1S/C15H23NO3/c1-13(19-14-9-5-4-6-10-14)15(18)16-11-7-2-3-8-12-17/h4-6,9-10,13,17H,2-3,7-8,11-12H2,1H3,(H,16,18)
InChIKeyQDVBGNMWPBGWRJ-UHFFFAOYSA-N
XLogP2.12
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
CID 103861668
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
N-ethyl-2-phenoxypropanamide
CID 4282518
2-(4-fluorophenoxy)-N-(3-hydroxypropyl)propanamide
CID 43391422
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenoxypropanamide
CID 103825152

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-2-phenoxypropanamide?
The IUPAC name of N-(6-hydroxyhexyl)-2-phenoxypropanamide (CID 103919352) is N-(6-hydroxyhexyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-2-phenoxypropanamide?
The canonical SMILES for N-(6-hydroxyhexyl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCCCCCCO.
What is the InChIKey of N-(6-hydroxyhexyl)-2-phenoxypropanamide?
The InChIKey is QDVBGNMWPBGWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-13(19-14-9-5-4-6-10-14)15(18)16-11-7-2-3-8-12-17/h4-6,9-10,13,17H,2-3,7-8,11-12H2,1H3,(H,16,18).
What are the key properties of N-(6-hydroxyhexyl)-2-phenoxypropanamide?
N-(6-hydroxyhexyl)-2-phenoxypropanamide has a molecular weight of 265.35 g/mol, XLogP of 2.12, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-2-phenoxypropanamide is sourced from PubChem (CID 103919352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).