N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide

C12H17NO4 — CID 66177924

IUPACN-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(O)CO)c1
InChIInChI=1S/C12H17NO4/c1-9-3-2-4-11(5-9)17-8-12(16)13-6-10(15)7-14/h2-5,10,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyQKMGDIKQBZELDV-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.16
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide

N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide (PubChem CID 66177924) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
PubChem CID66177924
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide
SMILESCc1cccc(OCC(=O)NCC(O)CO)c1
InChIInChI=1S/C12H17NO4/c1-9-3-2-4-11(5-9)17-8-12(16)13-6-10(15)7-14/h2-5,10,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyQKMGDIKQBZELDV-UHFFFAOYSA-N
XLogP-0.16
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66174959
N-[2-(methylamino)propyl]-2-(3-methylphenoxy)acetamide;hydrochloride
CID 120828955
N-(3-amino-2-methylpropyl)-2-(3-methylphenoxy)acetamide
CID 119998062
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 111119904
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355
N-[2-hydroxy-3-(2-oxo-1-pyridinyl)propyl]-2-(3-methylphenoxy)acetamide
CID 90624909
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(3-methylphenoxy)acetamide
CID 111784865
N-(2,3-dihydroxypropyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 66177734
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(3-bromophenoxy)-N-(2-hydroxybutyl)acetamide
CID 115577661
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(3-methylphenoxy)acetamide
CID 26819049

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide (CID 66177924) is N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide is Cc1cccc(OCC(=O)NCC(O)CO)c1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide?
The InChIKey is QKMGDIKQBZELDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-9-3-2-4-11(5-9)17-8-12(16)13-6-10(15)7-14/h2-5,10,14-15H,6-8H2,1H3,(H,13,16).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide?
N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 66177924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).