N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide

C12H17NO5 — CID 58879695

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(CO)(CO)CO
InChIInChI=1S/C12H17NO5/c14-7-12(8-15,9-16)13-11(17)6-18-10-4-2-1-3-5-10/h1-5,14-16H,6-9H2,(H,13,17)
InChIKeyVQTYNFLVRZUQAJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.10
Rot. Bonds7

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide (PubChem CID 58879695) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide
PubChem CID58879695
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(CO)(CO)CO
InChIInChI=1S/C12H17NO5/c14-7-12(8-15,9-16)13-11(17)6-18-10-4-2-1-3-5-10/h1-5,14-16H,6-9H2,(H,13,17)
InChIKeyVQTYNFLVRZUQAJ-UHFFFAOYSA-N
XLogP-1.10
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid
CID 65261292
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825
2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide
CID 10684824
N'-chloro-2-phenoxyacetohydrazide
CID 174818653
2-amino-2-(hydroxymethyl)propane-1,3-diol;N-[1,3-bis(prop-2-ynoxy)-2-(prop-2-ynoxymethyl)propan-2-yl]-2-phenoxyacetamide;3-bromoprop-1-yne;N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide;2-phenoxyacetyl chloride
CID 158478315
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N-[2-(methylamino)-2-oxoethoxy]-2-phenoxyacetamide
CID 110495620

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide (CID 58879695) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC(CO)(CO)CO.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide?
The InChIKey is VQTYNFLVRZUQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c14-7-12(8-15,9-16)13-11(17)6-18-10-4-2-1-3-5-10/h1-5,14-16H,6-9H2,(H,13,17).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide has a molecular weight of 255.27 g/mol, XLogP of -1.10, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 58879695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).