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

C12H17NO4 — CID 65312489

IUPACN-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(CO)CO)cc1
InChIInChI=1S/C12H17NO4/c1-9-2-4-11(5-3-9)17-8-12(16)13-10(6-14)7-15/h2-5,10,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyZHCMCWZFZNOGOK-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.16
Rot. Bonds6

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

N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide (PubChem CID 65312489) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
PubChem CID65312489
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC(CO)CO)cc1
InChIInChI=1S/C12H17NO4/c1-9-2-4-11(5-3-9)17-8-12(16)13-10(6-14)7-15/h2-5,10,14-15H,6-8H2,1H3,(H,13,16)
InChIKeyZHCMCWZFZNOGOK-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

N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
N-(1,3-dihydroxypropan-2-yl)-2-(4-fluorophenoxy)acetamide
CID 65315333
N-(1-amino-4-methylpentan-2-yl)-2-(4-methylphenoxy)acetamide
CID 119585848
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
2-(4-methylphenoxy)-N-[2-[[2-(4-methylphenoxy)acetyl]amino]propyl]acetamide
CID 2899982
N-(1-hydroxy-4-methylpentan-2-yl)-2-phenoxyacetamide
CID 61245289
2-(4-chlorophenoxy)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 39086751
(2R)-3-methyl-2-[[2-[4-(4-methylphenyl)phenoxy]acetyl]amino]butanoic acid
CID 9157303
(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate
CID 2333588
4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
CID 120546662
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 123862391
N-(1-hydroxy-4-methylpentan-2-yl)-4-(4-methylphenoxy)butanamide
CID 61247500

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide (CID 65312489) is N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC(CO)CO)cc1.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide?
The InChIKey is ZHCMCWZFZNOGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-9-2-4-11(5-3-9)17-8-12(16)13-10(6-14)7-15/h2-5,10,14-15H,6-8H2,1H3,(H,13,16).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide?
N-(1,3-dihydroxypropan-2-yl)-2-(4-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-(1,3-dihydroxypropan-2-yl)-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 65312489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).