N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide

C20H22N2O5 — CID 87108348

IUPACN-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide
SMILESO=C(NO)c1ccc(OCCN(CCO)C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H22N2O5/c23-14-12-22(19(24)11-6-16-4-2-1-3-5-16)13-15-27-18-9-7-17(8-10-18)20(25)21-26/h1-11,23,26H,12-15H2,(H,21,25)/b11-6+
InChIKeyWSCYIBJATIBFJL-IZZDOVSWSA-N
MW370.41 g/mol
LogP1.72
Rot. Bonds9

About N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide

N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide (PubChem CID 87108348) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide
PubChem CID87108348
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide
SMILESO=C(NO)c1ccc(OCCN(CCO)C(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H22N2O5/c23-14-12-22(19(24)11-6-16-4-2-1-3-5-16)13-15-27-18-9-7-17(8-10-18)20(25)21-26/h1-11,23,26H,12-15H2,(H,21,25)/b11-6+
InChIKeyWSCYIBJATIBFJL-IZZDOVSWSA-N
XLogP1.72
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-bis(3-hydroxypropyl)-3-phenylprop-2-enamide
CID 176654258
(E)-N-[3-[4-(hydroxycarbamothioyl)phenoxy]propyl]-N-methyl-3-phenylprop-2-enamide
CID 87641050
3-(4-bromophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61233441
3-[4-[2-[bis(2-hydroxyethyl)amino]ethoxy]phenyl]prop-2-enoic acid
CID 76909195
3-[4-(2-hydroxyethoxy)phenyl]-1-phenylprop-2-en-1-one
CID 50742117
N,N-bis(2-hydroxyethyl)-2-oxo-4-phenylbut-3-enamide
CID 57194236
1,1'-biphenyl;(E)-3-[4-(2-hydroxyethoxy)phenyl]prop-2-enoic acid
CID 175052952
3-(4-cyanophenyl)-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 61233426
4-phenylmethoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6234109
N-hydroxy-4-[2-(methylamino)ethoxy]benzamide
CID 87613285
(E)-1-[4-[4-(dibutylamino)butoxy]phenyl]-3-phenylprop-2-en-1-one
CID 118715723
(E)-3-(2-chlorophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)prop-2-enamide
CID 115902440

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide?
The IUPAC name of N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide (CID 87108348) is N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide?
The canonical SMILES for N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide is O=C(NO)c1ccc(OCCN(CCO)C(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide?
The InChIKey is WSCYIBJATIBFJL-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-14-12-22(19(24)11-6-16-4-2-1-3-5-16)13-15-27-18-9-7-17(8-10-18)20(25)21-26/h1-11,23,26H,12-15H2,(H,21,25)/b11-6+.
What are the key properties of N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide?
N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide has a molecular weight of 370.41 g/mol, XLogP of 1.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-[2-hydroxyethyl-[(E)-3-phenylprop-2-enoyl]amino]ethoxy]benzamide is sourced from PubChem (CID 87108348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).