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

C12H17NO4 — CID 170829679

IUPACN-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(CO)c1
InChIInChI=1S/C12H17NO4/c1-8(15)13-6-11(16)12(17)10-4-2-3-9(5-10)7-14/h2-5,11-12,14,16-17H,6-7H2,1H3,(H,13,15)
InChIKeyGAHYIEGJRAQYFZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.29
Rot. Bonds5

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

N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide (PubChem CID 170829679) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide
PubChem CID170829679
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(CO)c1
InChIInChI=1S/C12H17NO4/c1-8(15)13-6-11(16)12(17)10-4-2-3-9(5-10)7-14/h2-5,11-12,14,16-17H,6-7H2,1H3,(H,13,15)
InChIKeyGAHYIEGJRAQYFZ-UHFFFAOYSA-N
XLogP-0.29
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-carbamothioylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830072
N-[2,3-dihydroxy-3-(3-propan-2-ylsulfonylphenyl)propyl]acetamide
CID 170830912
N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831226
N-[4-[3-(bromomethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171884117
N-[3,4-dihydroxy-4-[3-(sulfanylmethyl)phenyl]butyl]acetamide
CID 171882570
N-[4-[3-(2-aminoethyl)phenyl]-3,4-dihydroxybutyl]acetamide
CID 171883105
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
N-[3-(3-bromo-4-methylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831130
N-[2,3-dihydroxy-3-(2-oxo-1H-pyridin-4-yl)propyl]acetamide
CID 170829568
N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830543

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide (CID 170829679) is N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide is CC(=O)NCC(O)C(O)c1cccc(CO)c1.
What is the InChIKey of N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide?
The InChIKey is GAHYIEGJRAQYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(15)13-6-11(16)12(17)10-4-2-3-9(5-10)7-14/h2-5,11-12,14,16-17H,6-7H2,1H3,(H,13,15).
What are the key properties of N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide?
N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide has a molecular weight of 239.27 g/mol, XLogP of -0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide is sourced from PubChem (CID 170829679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).