2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide

C11H15NO4 — CID 572441

IUPAC2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCC(O)CO)cc1
InChIInChI=1S/C11H15NO4/c12-11(15)5-8-1-3-10(4-2-8)16-7-9(14)6-13/h1-4,9,13-14H,5-7H2,(H2,12,15)
InChIKeyCQOQCZLTCMUVMX-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.55
Rot. Bonds6

About 2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide

2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide (PubChem CID 572441) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide
PubChem CID572441
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide
SMILESNC(=O)Cc1ccc(OCC(O)CO)cc1
InChIInChI=1S/C11H15NO4/c12-11(15)5-8-1-3-10(4-2-8)16-7-9(14)6-13/h1-4,9,13-14H,5-7H2,(H2,12,15)
InChIKeyCQOQCZLTCMUVMX-UHFFFAOYSA-N
XLogP-0.55
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-[di(propan-2-yl)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 59432769
2-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]acetamide
CID 7100169
3-[4-[[4-(2-amino-3-hydroxypropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 145484707
2-[4-[3-[1,1,1,2,3,3,3-heptadeuteriopropan-2-yl(nitroso)amino]-2-hydroxypropoxy]phenyl]acetamide
CID 172990456
2-[[3-[4-(2-amino-2-oxoethyl)phenoxy]-2-hydroxypropyl]amino]propyl hydrogen sulfate
CID 139595490
3-phenoxypropane-1,2-diol
CID 10857
3-phenoxypropane-1,2-diol
CID 158587241
3-[4-[[4-(3-hydroxy-2-methylpropoxy)phenyl]methyl]phenoxy]propane-1,2-diol
CID 70897892
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-[4-[1-[4-(2,3-dihydroxypropoxy)phenyl]ethyl]phenoxy]propane-1,2-diol
CID 139630943
2-(2,3-dihydroxypropoxy)-3-[4-(2,3-dihydroxypropoxy)phenyl]prop-2-enoic acid
CID 57052843
(2R)-3-(4-pentadecylphenoxy)propane-1,2-diol
CID 95907091

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide?
The IUPAC name of 2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide (CID 572441) is 2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide.
What is the SMILES notation for 2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide?
The canonical SMILES for 2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide is NC(=O)Cc1ccc(OCC(O)CO)cc1.
What is the InChIKey of 2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide?
The InChIKey is CQOQCZLTCMUVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c12-11(15)5-8-1-3-10(4-2-8)16-7-9(14)6-13/h1-4,9,13-14H,5-7H2,(H2,12,15).
What are the key properties of 2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide?
2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide has a molecular weight of 225.24 g/mol, XLogP of -0.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroxypropoxy)phenyl]acetamide is sourced from PubChem (CID 572441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).