N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide

C18H18N2O4 — CID 142847272

IUPACN-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide
SMILESCCNC(=O)/C(=C/c1ccc(O)cc1)NC(=O)c1ccccc1O
InChIInChI=1S/C18H18N2O4/c1-2-19-18(24)15(11-12-7-9-13(21)10-8-12)20-17(23)14-5-3-4-6-16(14)22/h3-11,21-22H,2H2,1H3,(H,19,24)(H,20,23)/b15-11-
InChIKeyDZCDZOFGSUADKA-PTNGSMBKSA-N
MW326.35 g/mol
LogP2.00
Rot. Bonds5

About N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide

N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide (PubChem CID 142847272) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide
PubChem CID142847272
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide
SMILESCCNC(=O)/C(=C/c1ccc(O)cc1)NC(=O)c1ccccc1O
InChIInChI=1S/C18H18N2O4/c1-2-19-18(24)15(11-12-7-9-13(21)10-8-12)20-17(23)14-5-3-4-6-16(14)22/h3-11,21-22H,2H2,1H3,(H,19,24)(H,20,23)/b15-11-
InChIKeyDZCDZOFGSUADKA-PTNGSMBKSA-N
XLogP2.00
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-[(Z)-3-(2-hydroxyethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 142847334
2-bromo-N-[3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 4128024
N-[3-(butylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3633246
N-[(Z)-3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2186045
ethyl 2-[[(E)-3-[4-(2-bromophenoxy)phenyl]-2-[(2-hydroxybenzoyl)amino]prop-2-enoyl]amino]acetate
CID 22148356
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
N-[3-(ethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 3754014
N-[1-(4-bromophenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 2918548
N-[1-(3,4-dimethoxyphenyl)-3-(ethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3841922
2-bromo-N-[3-(butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2928761
N-[(E)-1-[4-[(E)-2-benzamido-3-(octylamino)-3-oxoprop-1-enyl]phenyl]-3-(octylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6367639

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide?
The IUPAC name of N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide (CID 142847272) is N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide?
The canonical SMILES for N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide is CCNC(=O)/C(=C/c1ccc(O)cc1)NC(=O)c1ccccc1O.
What is the InChIKey of N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide?
The InChIKey is DZCDZOFGSUADKA-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-2-19-18(24)15(11-12-7-9-13(21)10-8-12)20-17(23)14-5-3-4-6-16(14)22/h3-11,21-22H,2H2,1H3,(H,19,24)(H,20,23)/b15-11-.
What are the key properties of N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide?
N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide has a molecular weight of 326.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-(ethylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]-2-hydroxybenzamide is sourced from PubChem (CID 142847272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).