2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

C20H23NO5 — CID 118105324

IUPAC2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
SMILESCC(C(=O)NC(CO)(CO)CO)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H23NO5/c1-14(19(26)21-20(11-22,12-23)13-24)16-8-5-9-17(10-16)18(25)15-6-3-2-4-7-15/h2-10,14,22-24H,11-13H2,1H3,(H,21,26)
InChIKeyXLVOGCLORTXKJL-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.85
Rot. Bonds8

About 2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide

2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide (PubChem CID 118105324) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
PubChem CID118105324
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
SMILESCC(C(=O)NC(CO)(CO)CO)c1cccc(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H23NO5/c1-14(19(26)21-20(11-22,12-23)13-24)16-8-5-9-17(10-16)18(25)15-6-3-2-4-7-15/h2-10,14,22-24H,11-13H2,1H3,(H,21,26)
InChIKeyXLVOGCLORTXKJL-UHFFFAOYSA-N
XLogP0.85
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The IUPAC name of 2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide (CID 118105324) is 2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide.
What is the SMILES notation for 2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The canonical SMILES for 2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide is CC(C(=O)NC(CO)(CO)CO)c1cccc(C(=O)c2ccccc2)c1.
What is the InChIKey of 2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
The InChIKey is XLVOGCLORTXKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14(19(26)21-20(11-22,12-23)13-24)16-8-5-9-17(10-16)18(25)15-6-3-2-4-7-15/h2-10,14,22-24H,11-13H2,1H3,(H,21,26).
What are the key properties of 2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide?
2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide has a molecular weight of 357.41 g/mol, XLogP of 0.85, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzoylphenyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide is sourced from PubChem (CID 118105324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).