2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide

C12H17NO3 — CID 80740739

IUPAC2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C12H17NO3/c1-9(14)8-13(2)12(16)7-10-5-3-4-6-11(10)15/h3-6,9,14-15H,7-8H2,1-2H3
InChIKeyHNPWOXPQIPOIEI-UHFFFAOYSA-N
MW223.27 g/mol
LogP0.77
Rot. Bonds4

About 2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide

2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide (PubChem CID 80740739) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
PubChem CID80740739
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
SMILESCC(O)CN(C)C(=O)Cc1ccccc1O
InChIInChI=1S/C12H17NO3/c1-9(14)8-13(2)12(16)7-10-5-3-4-6-11(10)15/h3-6,9,14-15H,7-8H2,1-2H3
InChIKeyHNPWOXPQIPOIEI-UHFFFAOYSA-N
XLogP0.77
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 115693680
N-(1-bromopropan-2-yl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 104556210
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 95567536
N-(3-amino-3-sulfanylidenepropyl)-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80741547
2-[2-[[[2-hydroxypropyl(methyl)carbamoyl]amino]methyl]phenyl]acetic acid
CID 81318509
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
N-(2-hydroxypropyl)-2-(4-methoxyphenyl)-N-methylacetamide
CID 62333656
N-(3-hydroxybutyl)-N-methyl-2-naphthalen-1-ylacetamide
CID 111695871
N-methyl-N-(2-methylpropyl)-2-(2-nitrophenyl)acetamide
CID 134058659
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80740980
2-[2-(aminomethyl)phenyl]-N-(2-cyanopropyl)-N-methylacetamide
CID 81318252
N-[[3-(aminomethyl)phenyl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80743611

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide?
The IUPAC name of 2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide (CID 80740739) is 2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide?
The canonical SMILES for 2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide is CC(O)CN(C)C(=O)Cc1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide?
The InChIKey is HNPWOXPQIPOIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-9(14)8-13(2)12(16)7-10-5-3-4-6-11(10)15/h3-6,9,14-15H,7-8H2,1-2H3.
What are the key properties of 2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide?
2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide has a molecular weight of 223.27 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide is sourced from PubChem (CID 80740739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).