N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide

C17H19NO3 — CID 110909074

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NCc1ccccc1CO
InChIInChI=1S/C17H19NO3/c19-12-15-7-2-1-6-14(15)11-18-17(21)10-9-13-5-3-4-8-16(13)20/h1-8,19-20H,9-12H2,(H,18,21)
InChIKeyACDJYKXCPFEBDS-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.13
Rot. Bonds6

About N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide

N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide (PubChem CID 110909074) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
PubChem CID110909074
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
SMILESO=C(CCc1ccccc1O)NCc1ccccc1CO
InChIInChI=1S/C17H19NO3/c19-12-15-7-2-1-6-14(15)11-18-17(21)10-9-13-5-3-4-8-16(13)20/h1-8,19-20H,9-12H2,(H,18,21)
InChIKeyACDJYKXCPFEBDS-UHFFFAOYSA-N
XLogP2.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(2-hydroxyphenyl)propanamide
CID 3438013
N-[(2-fluorophenyl)methyl]-3-(2-hydroxyphenyl)propanamide
CID 8571246
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methoxypropanamide
CID 110924169
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(4-methoxyphenyl)propanamide
CID 110902384
N-(2,2-diphenylethyl)-3-(2-hydroxyphenyl)propanamide
CID 38638784
N-(2-hydroxy-2-methylpropyl)-3-(2-hydroxyphenyl)propanamide
CID 65109951
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-(2-hydroxyphenyl)propanamide
CID 31136988
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 47466334
3-cyclopentyl-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110902468
3-(2-hydroxyphenyl)-N-[(4-methylpyrimidin-2-yl)methyl]propanamide
CID 146109129
N-[(2-hydroxyphenyl)methyl]octadecanamide
CID 154122787

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide (CID 110909074) is N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide is O=C(CCc1ccccc1O)NCc1ccccc1CO.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide?
The InChIKey is ACDJYKXCPFEBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-12-15-7-2-1-6-14(15)11-18-17(21)10-9-13-5-3-4-8-16(13)20/h1-8,19-20H,9-12H2,(H,18,21).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide has a molecular weight of 285.34 g/mol, XLogP of 2.13, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 110909074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).