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

C14H21NO3 — CID 111662196

IUPACN-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cc1ccccc1O
InChIInChI=1S/C14H21NO3/c1-10(2)12(16)7-8-15-14(18)9-11-5-3-4-6-13(11)17/h3-6,10,12,16-17H,7-9H2,1-2H3,(H,15,18)
InChIKeyQQLVGRGUYKAGOF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.46
Rot. Bonds6

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

N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 111662196) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide
PubChem CID111662196
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cc1ccccc1O
InChIInChI=1S/C14H21NO3/c1-10(2)12(16)7-8-15-14(18)9-11-5-3-4-6-13(11)17/h3-6,10,12,16-17H,7-9H2,1-2H3,(H,15,18)
InChIKeyQQLVGRGUYKAGOF-UHFFFAOYSA-N
XLogP1.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

N-(3-aminobutyl)-2-(2-hydroxyphenyl)acetamide
CID 80741503
2-(2-acetamidophenyl)-N-[(3R)-3-hydroxy-4-methylpentyl]acetamide
CID 124889974
1-[(2-ethylphenyl)methyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111506740
2-(2-hydroxyphenyl)-N-(2-methylpropyl)acetamide
CID 22947307
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111461213
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
N-[2-(carbamoylamino)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78994089
2-(2-hydroxyphenyl)-N-[2-(methylamino)propyl]acetamide
CID 103512690
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
N-(3-hydroxy-4-methylpentyl)-2-(2-oxo-1-pyridinyl)acetamide
CID 111460901
2-(2-hydroxyphenyl)-N-(2,2,3-trimethylbutyl)acetamide
CID 102673574
N-(3-chloro-2-methylpropyl)-2-(2-hydroxyphenyl)acetamide
CID 114302533

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide (CID 111662196) is N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide is CC(C)C(O)CCNC(=O)Cc1ccccc1O.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is QQLVGRGUYKAGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)12(16)7-8-15-14(18)9-11-5-3-4-6-13(11)17/h3-6,10,12,16-17H,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide?
N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 111662196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).