N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide

C15H23NO3 — CID 103861668

IUPACN-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
SMILESCC(CO)CCCNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(11-17)7-6-10-16-15(18)13(2)19-14-8-4-3-5-9-14/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3,(H,16,18)
InChIKeyALUUSDHIAZEFPK-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.98
Rot. Bonds8

About N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide

N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide (PubChem CID 103861668) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
PubChem CID103861668
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
SMILESCC(CO)CCCNC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C15H23NO3/c1-12(11-17)7-6-10-16-15(18)13(2)19-14-8-4-3-5-9-14/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3,(H,16,18)
InChIKeyALUUSDHIAZEFPK-UHFFFAOYSA-N
XLogP1.98
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.98
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-(6-hydroxyhexyl)-2-phenoxypropanamide
CID 103919352
(2R)-2-phenoxy-N-(3-propan-2-yloxypropyl)propanamide
CID 2227382
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
N-ethyl-2-phenoxypropanamide
CID 4282518
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
2-(2-phenoxypropanoylamino)propanoic acid
CID 43092023
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide (CID 103861668) is N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide is CC(CO)CCCNC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide?
The InChIKey is ALUUSDHIAZEFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(11-17)7-6-10-16-15(18)13(2)19-14-8-4-3-5-9-14/h3-5,8-9,12-13,17H,6-7,10-11H2,1-2H3,(H,16,18).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide?
N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide has a molecular weight of 265.35 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide is sourced from PubChem (CID 103861668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).