N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide

C12H17NO5 — CID 65313044

IUPACN-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC(CO)CO)cc1
InChIInChI=1S/C12H17NO5/c1-17-10-2-4-11(5-3-10)18-8-12(16)13-9(6-14)7-15/h2-5,9,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyZAWBWFZOGAKTOI-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.46
Rot. Bonds7

About N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide

N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 65313044) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID65313044
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC(CO)CO)cc1
InChIInChI=1S/C12H17NO5/c1-17-10-2-4-11(5-3-10)18-8-12(16)13-9(6-14)7-15/h2-5,9,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyZAWBWFZOGAKTOI-UHFFFAOYSA-N
XLogP-0.46
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
CID 65312489
N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134
N-(1,3-dihydroxypropan-2-yl)-2-(4-fluorophenoxy)acetamide
CID 65315333
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 65315308
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 110834177
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2590405
2-(4-methoxyphenoxy)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 46763951
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
CID 61245289

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide (CID 65313044) is N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NC(CO)CO)cc1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is ZAWBWFZOGAKTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-17-10-2-4-11(5-3-10)18-8-12(16)13-9(6-14)7-15/h2-5,9,14-15H,6-8H2,1H3,(H,13,16).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 255.27 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 65313044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).