N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide

C13H19NO3 — CID 115693680

IUPACN-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESCC(O)CCN(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C13H19NO3/c1-10(15)7-8-14(2)13(17)9-11-5-3-4-6-12(11)16/h3-6,10,15-16H,7-9H2,1-2H3
InChIKeyFSUWBGWQABWAJP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.16
Rot. Bonds5

About N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide

N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide (PubChem CID 115693680) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
PubChem CID115693680
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
SMILESCC(O)CCN(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C13H19NO3/c1-10(15)7-8-14(2)13(17)9-11-5-3-4-6-12(11)16/h3-6,10,15-16H,7-9H2,1-2H3
InChIKeyFSUWBGWQABWAJP-UHFFFAOYSA-N
XLogP1.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 80740739
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 115673311
N-(3-amino-3-sulfanylidenepropyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80741547
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80740980
2-(4-butylphenyl)-N-(3-hydroxybutyl)-N-methylacetamide
CID 115673298
N-(3-hydroxybutyl)-N-methyl-4-phenylbutanamide
CID 111695751
2-(2-fluorophenyl)sulfanyl-N-(3-hydroxybutyl)-N-methylacetamide
CID 115691480
N-(3-hydroxybutyl)-N-methyl-2-(2-methylphenyl)sulfanylacetamide
CID 111695495
N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 104556210
N-(3-hydroxybutyl)-N-methyl-2,2-diphenylacetamide
CID 111695707

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide (CID 115693680) is N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide is CC(O)CCN(C)C(=O)Cc1ccccc1O.
What is the InChIKey of N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide?
The InChIKey is FSUWBGWQABWAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(15)7-8-14(2)13(17)9-11-5-3-4-6-12(11)16/h3-6,10,15-16H,7-9H2,1-2H3.
What are the key properties of N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide?
N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide has a molecular weight of 237.30 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 115693680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).