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

C14H21NO4 — CID 170830393

IUPACN-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccccc1CCCO
InChIInChI=1S/C14H21NO4/c1-10(17)15-9-13(18)14(19)12-7-3-2-5-11(12)6-4-8-16/h2-3,5,7,13-14,16,18-19H,4,6,8-9H2,1H3,(H,15,17)
InChIKeyUCIVIQXPNWBOIY-UHFFFAOYSA-N
MW267.32 g/mol
LogP0.14
Rot. Bonds7

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

N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide (PubChem CID 170830393) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide
PubChem CID170830393
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccccc1CCCO
InChIInChI=1S/C14H21NO4/c1-10(17)15-9-13(18)14(19)12-7-3-2-5-11(12)6-4-8-16/h2-3,5,7,13-14,16,18-19H,4,6,8-9H2,1H3,(H,15,17)
InChIKeyUCIVIQXPNWBOIY-UHFFFAOYSA-N
XLogP0.14
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-dihydroxy-4-[2-(3-hydroxypropyl)phenyl]butyl]acetamide
CID 171883384
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-[3-(hydroxymethyl)-2-methylphenyl]propyl]acetamide
CID 170830007
N-[2,3-dihydroxy-3-(2-phenylphenyl)propyl]acetamide
CID 170830860
N-[2,3-dihydroxy-3-(2-methylsulfanylphenyl)propyl]acetamide
CID 170829588
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
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
1-[2-(3-hydroxypropyl)phenyl]ethane-1,2-diol
CID 117286234
3-(3-acetamido-1,2-dihydroxypropyl)-2-fluorobenzoic acid
CID 170830326

Frequently Asked Questions

What is the IUPAC name of N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide?
The IUPAC name of N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide (CID 170830393) is N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide.
What is the SMILES notation for N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide?
The canonical SMILES for N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide is CC(=O)NCC(O)C(O)c1ccccc1CCCO.
What is the InChIKey of N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide?
The InChIKey is UCIVIQXPNWBOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(17)15-9-13(18)14(19)12-7-3-2-5-11(12)6-4-8-16/h2-3,5,7,13-14,16,18-19H,4,6,8-9H2,1H3,(H,15,17).
What are the key properties of N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide?
N-[2,3-dihydroxy-3-[2-(3-hydroxypropyl)phenyl]propyl]acetamide has a molecular weight of 267.32 g/mol, XLogP of 0.14, 7 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-[2-(3-hydroxypropyl)phenyl]propyl]acetamide is sourced from PubChem (CID 170830393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).