N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide

C14H19NO4 — CID 170830402

IUPACN-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide
SMILESCC(=O)Cc1ccccc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C14H19NO4/c1-9(16)7-11-5-3-4-6-12(11)14(19)13(18)8-15-10(2)17/h3-6,13-14,18-19H,7-8H2,1-2H3,(H,15,17)
InChIKeyXAFJEXPUGROPOZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.35
Rot. Bonds6

About N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide

N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide (PubChem CID 170830402) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide
PubChem CID170830402
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide
SMILESCC(=O)Cc1ccccc1C(O)C(O)CNC(C)=O
InChIInChI=1S/C14H19NO4/c1-9(16)7-11-5-3-4-6-12(11)14(19)13(18)8-15-10(2)17/h3-6,13-14,18-19H,7-8H2,1-2H3,(H,15,17)
InChIKeyXAFJEXPUGROPOZ-UHFFFAOYSA-N
XLogP0.35
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetic acid
CID 170830367
N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide
CID 170830393
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588
N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide
CID 170830007
N-[2,3-dihydroxy-3-(2-phenylphenyl)propyl]acetamide
CID 170830860
N-[3-(2-ethynylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831357
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
N-[3-(1,3-benzodioxol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170831298
3-(3-acetamido-1,2-dihydroxypropyl)-2-chlorobenzoic acid
CID 170830322
3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170830326
N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]acetamide
CID 170830867
N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide
CID 171883384

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide (CID 170830402) is N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide is CC(=O)Cc1ccccc1C(O)C(O)CNC(C)=O.
What is the InChIKey of N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide?
The InChIKey is XAFJEXPUGROPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(16)7-11-5-3-4-6-12(11)14(19)13(18)8-15-10(2)17/h3-6,13-14,18-19H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide?
N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide has a molecular weight of 265.31 g/mol, XLogP of 0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-[2-(2-oxopropyl)phenyl]propyl]acetamide is sourced from PubChem (CID 170830402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).