3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide

C20H22N2O2 — CID 145449039

IUPAC3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide
SMILESC/C=C\C(=N/C)c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1
InChIInChI=1S/C20H22N2O2/c1-3-5-19(22-2)16-8-10-18(14-6-4-7-17(23)13-14)15(12-16)9-11-20(21)24/h3-8,10,12-13,23H,9,11H2,1-2H3,(H2,21,24)/b5-3-,22-19+
InChIKeyUIFHWPRWUCJCIG-GPVVWHKLSA-N
MW322.41 g/mol
LogP3.47
Rot. Bonds6

About 3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide

3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide (PubChem CID 145449039) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide
PubChem CID145449039
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide
SMILESC/C=C\C(=N/C)c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1
InChIInChI=1S/C20H22N2O2/c1-3-5-19(22-2)16-8-10-18(14-6-4-7-17(23)13-14)15(12-16)9-11-20(21)24/h3-8,10,12-13,23H,9,11H2,1-2H3,(H2,21,24)/b5-3-,22-19+
InChIKeyUIFHWPRWUCJCIG-GPVVWHKLSA-N
XLogP3.47
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

trans-(1R,2R)-N-[(E)-1-(3-hydroxyphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73349388
US11897867, Example 49
CID 137463235
3-[5-(4-Fluorophenyl)-2-(3-hydroxyphenyl)phenyl]propanamide
CID 122539328
3-[2-(3-Fluoro-5-hydroxyphenyl)-5-phenylphenyl]propanamide
CID 122555627
3-[2-(4-Fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
CID 122581285
3-[2-(2-Fluoro-3-hydroxyphenyl)-5-phenylphenyl]propanamide
CID 122581286
3-[2-(4-Fluoro-3-hydroxy-5-methylphenyl)-5-phenylphenyl]propanamide
CID 122581288
3-[2-(2-Fluoro-5-hydroxyphenyl)-5-phenylphenyl]propanamide
CID 122581293
3-[5-(3-Fluorophenyl)-2-(3-hydroxyphenyl)phenyl]propanamide
CID 134220258
3-[5-(3-Fluoro-5-methylphenyl)-2-(3-hydroxyphenyl)phenyl]propanamide
CID 134238152
3-[5-(4-Fluoro-3-methylcyclohexa-1,5-dien-1-yl)-2-(3-hydroxyphenyl)phenyl]propanamide
CID 163889899
4-[4-(2,5-Dihydroxyphenyl)-3-fluorophenyl]-4-iminobutanamide
CID 167054719

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide?
The IUPAC name of 3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide (CID 145449039) is 3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide.
What is the SMILES notation for 3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide?
The canonical SMILES for 3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide is C/C=C\C(=N/C)c1ccc(-c2cccc(O)c2)c(CCC(N)=O)c1.
What is the InChIKey of 3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide?
The InChIKey is UIFHWPRWUCJCIG-GPVVWHKLSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-3-5-19(22-2)16-8-10-18(14-6-4-7-17(23)13-14)15(12-16)9-11-20(21)24/h3-8,10,12-13,23H,9,11H2,1-2H3,(H2,21,24)/b5-3-,22-19+.
What are the key properties of 3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide?
3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide has a molecular weight of 322.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxyphenyl)-5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]phenyl]propanamide is sourced from PubChem (CID 145449039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).