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

C14H21NO2 — CID 103862364

IUPACN-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
SMILESCC(CO)CCCNC(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(11-16)6-5-9-15-14(17)10-13-7-3-2-4-8-13/h2-4,7-8,12,16H,5-6,9-11H2,1H3,(H,15,17)
InChIKeyQZWVDAKXOKMULR-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.75
Rot. Bonds7

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

N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide (PubChem CID 103862364) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
PubChem CID103862364
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
SMILESCC(CO)CCCNC(=O)Cc1ccccc1
InChIInChI=1S/C14H21NO2/c1-12(11-16)6-5-9-15-14(17)10-13-7-3-2-4-8-13/h2-4,7-8,12,16H,5-6,9-11H2,1H3,(H,15,17)
InChIKeyQZWVDAKXOKMULR-UHFFFAOYSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
CID 113341295
N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
(2S)-2-amino-N-(5-hydroxy-4-methylpentyl)-4-phenylbutanamide
CID 106161296
N-[2-[(5-hydroxy-4-methylpentyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 103862344
N-(5-hydroxy-4-methylpentyl)-3-(2-methylphenyl)propanamide
CID 103862326
2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862391
N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
N-[1-[(5-hydroxy-4-methylpentyl)amino]-1-oxopropan-2-yl]benzamide
CID 103861524
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
N-(5-hydroxy-4-methylpentyl)-2-phenoxypropanamide
CID 103861668

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide (CID 103862364) is N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide is CC(CO)CCCNC(=O)Cc1ccccc1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide?
The InChIKey is QZWVDAKXOKMULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-12(11-16)6-5-9-15-14(17)10-13-7-3-2-4-8-13/h2-4,7-8,12,16H,5-6,9-11H2,1H3,(H,15,17).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide?
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide is sourced from PubChem (CID 103862364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).