2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

C18H18N2O5 — CID 142847334

IUPAC2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(NCCO)/C(=C/c1ccc(O)cc1)NC(=O)c1ccccc1O
InChIInChI=1S/C18H18N2O5/c21-10-9-19-18(25)15(11-12-5-7-13(22)8-6-12)20-17(24)14-3-1-2-4-16(14)23/h1-8,11,21-23H,9-10H2,(H,19,25)(H,20,24)/b15-11-
InChIKeyGQNNAWOHDFLFGB-PTNGSMBKSA-N
MW342.35 g/mol
LogP0.98
Rot. Bonds6

About 2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 142847334) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID142847334
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
SMILESO=C(NCCO)/C(=C/c1ccc(O)cc1)NC(=O)c1ccccc1O
InChIInChI=1S/C18H18N2O5/c21-10-9-19-18(25)15(11-12-5-7-13(22)8-6-12)20-17(24)14-3-1-2-4-16(14)23/h1-8,11,21-23H,9-10H2,(H,19,25)(H,20,24)/b15-11-
InChIKeyGQNNAWOHDFLFGB-PTNGSMBKSA-N
XLogP0.98
TPSA118.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 50.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide
CID 142847272
N-[1-(4-buta-1,3-dien-2-ylsulfanylphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide
CID 76843379
2-hydroxy-N-[(E)-3-(2-hydroxyethylamino)-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 22148089
2-chloro-N-[3-(3-hydroxypropylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 3128994
N-[3-(butylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3633246
N-[(Z)-3-(2-hydroxyethylamino)-3-oxo-1-thiophen-3-ylprop-1-en-2-yl]benzamide
CID 92967070
N-[1-(4-ethoxyphenyl)-3-(2-hydroxyethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3704032
[4-[(E)-2-benzamido-3-(2-hydroxyethylamino)-3-oxoprop-1-enyl]phenyl] acetate
CID 5341103
2-chloro-N-[3-(3-hydroxypropylamino)-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5143889
4-[[2-[(2-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoic acid
CID 2897477
2-bromo-N-[3-(butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2928761
2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 4128024

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of 2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide (CID 142847334) is 2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide is O=C(NCCO)/C(=C/c1ccc(O)cc1)NC(=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is GQNNAWOHDFLFGB-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H18N2O5/c21-10-9-19-18(25)15(11-12-5-7-13(22)8-6-12)20-17(24)14-3-1-2-4-16(14)23/h1-8,11,21-23H,9-10H2,(H,19,25)(H,20,24)/b15-11-.
What are the key properties of 2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide?
2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 342.35 g/mol, XLogP of 0.98, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 142847334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).