N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide

C14H21NO6 — CID 107845955

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CO)(CO)CO)c(OC)c1
InChIInChI=1S/C14H21NO6/c1-20-11-4-3-10(12(6-11)21-2)5-13(19)15-14(7-16,8-17)9-18/h3-4,6,16-18H,5,7-9H2,1-2H3,(H,15,19)
InChIKeyYHWLOPPANTYBNS-UHFFFAOYSA-N
MW299.32 g/mol
LogP-0.92
Rot. Bonds8

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 107845955) has the molecular formula C14H21NO6 and a molecular weight of 299.32 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID107845955
Molecular FormulaC14H21NO6
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(CO)(CO)CO)c(OC)c1
InChIInChI=1S/C14H21NO6/c1-20-11-4-3-10(12(6-11)21-2)5-13(19)15-14(7-16,8-17)9-18/h3-4,6,16-18H,5,7-9H2,1-2H3,(H,15,19)
InChIKeyYHWLOPPANTYBNS-UHFFFAOYSA-N
XLogP-0.92
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-cyclopentyl-2-(2,4-dimethoxyphenyl)acetamide
CID 17474203
N-(cyanomethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 96660716
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
2-(2,4-dimethoxyphenyl)-N-[2-(methylamino)-2-oxoethoxy]acetamide
CID 110495730
2-(2,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79255130
N-(2-acetamidoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 30597310
N-(2-amino-2-oxoethyl)-2-(2,4-dimethoxyphenyl)acetamide
CID 9297010
2-(2,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65032208
2-(2,4-dimethoxyphenyl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 83031383
2-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)acetamide
CID 84554293
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid
CID 120688752

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide (CID 107845955) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC(CO)(CO)CO)c(OC)c1.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is YHWLOPPANTYBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO6/c1-20-11-4-3-10(12(6-11)21-2)5-13(19)15-14(7-16,8-17)9-18/h3-4,6,16-18H,5,7-9H2,1-2H3,(H,15,19).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 299.32 g/mol, XLogP of -0.92, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 107845955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).