N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide

C14H21NO3 — CID 113341295

IUPACN-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
SMILESCC(CO)CCCNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H21NO3/c1-11(10-16)4-3-7-15-14(18)9-12-5-2-6-13(17)8-12/h2,5-6,8,11,16-17H,3-4,7,9-10H2,1H3,(H,15,18)
InChIKeyHKGHNPBHDXWHTB-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.46
Rot. Bonds7

About N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide

N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide (PubChem CID 113341295) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
PubChem CID113341295
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide
SMILESCC(CO)CCCNC(=O)Cc1cccc(O)c1
InChIInChI=1S/C14H21NO3/c1-11(10-16)4-3-7-15-14(18)9-12-5-2-6-13(17)8-12/h2,5-6,8,11,16-17H,3-4,7,9-10H2,1H3,(H,15,18)
InChIKeyHKGHNPBHDXWHTB-UHFFFAOYSA-N
XLogP1.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.46
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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Related Compounds

N-(5-hydroxy-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 113340866
N-(5-hydroxy-4-methylpentyl)-2-phenylacetamide
CID 103862364
2-(3-hydroxyphenyl)-N-[3-(methylamino)propyl]acetamide
CID 61399440
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
2-(3-hydroxyphenyl)-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 113229806
2,6-dihydroxy-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103890698
2-(2,3-difluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103862391
N-(5-chloro-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 114151356
N-(5-bromo-4-methylpentyl)-2-(3-methylphenyl)acetamide
CID 106157270
N-(6-chlorohexyl)-2-(3-hydroxyphenyl)acetamide
CID 107846976
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
N-(2-aminopropyl)-2-(3-hydroxyphenyl)acetamide
CID 63731250

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide?
The IUPAC name of N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide (CID 113341295) is N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide?
The canonical SMILES for N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide is CC(CO)CCCNC(=O)Cc1cccc(O)c1.
What is the InChIKey of N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide?
The InChIKey is HKGHNPBHDXWHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-11(10-16)4-3-7-15-14(18)9-12-5-2-6-13(17)8-12/h2,5-6,8,11,16-17H,3-4,7,9-10H2,1H3,(H,15,18).
What are the key properties of N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide?
N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-4-methylpentyl)-2-(3-hydroxyphenyl)acetamide is sourced from PubChem (CID 113341295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).