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

C13H19NO4 — CID 170830007

IUPACN-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(CO)c1C
InChIInChI=1S/C13H19NO4/c1-8-10(7-15)4-3-5-11(8)13(18)12(17)6-14-9(2)16/h3-5,12-13,15,17-18H,6-7H2,1-2H3,(H,14,16)
InChIKeyHPYCSCJPBLIFKC-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.02
Rot. Bonds5

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

N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide (PubChem CID 170830007) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide
PubChem CID170830007
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cccc(CO)c1C
InChIInChI=1S/C13H19NO4/c1-8-10(7-15)4-3-5-11(8)13(18)12(17)6-14-9(2)16/h3-5,12-13,15,17-18H,6-7H2,1-2H3,(H,14,16)
InChIKeyHPYCSCJPBLIFKC-UHFFFAOYSA-N
XLogP0.02
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.02
H-Bond Donors ≤ 54
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-(2-oxopropyl)phenyl]propyl]acetamide
CID 170830402
N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide
CID 170830393
N-[3-(1,3-benzodioxol-4-yl)-2,3-dihydroxypropyl]acetamide
CID 170831298
N-[3-(2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829633
N-[2,3-dihydroxy-3-(2-phenylphenyl)propyl]acetamide
CID 170830860
4-chloro-1-[3-(hydroxymethyl)-2-methylphenyl]butane-1,2-diol
CID 171893749
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588
3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170830326
3-(3-acetamido-1,2-dihydroxypropyl)-2-chlorobenzoic acid
CID 170830322
N-[2,3-dihydroxy-3-[3-(hydroxymethyl)phenyl]propyl]acetamide
CID 170829679
N-[3-(2-ethynylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831357

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide (CID 170830007) is N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide is CC(=O)NCC(O)C(O)c1cccc(CO)c1C.
What is the InChIKey of N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide?
The InChIKey is HPYCSCJPBLIFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-8-10(7-15)4-3-5-11(8)13(18)12(17)6-14-9(2)16/h3-5,12-13,15,17-18H,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide?
N-[2,3-dihydroxy-3-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide has a molecular weight of 253.30 g/mol, XLogP of 0.02, 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)-2-methylphenyl]propyl]acetamide is sourced from PubChem (CID 170830007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).