N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide

C21H22N2O3 — CID 173185552

IUPACN-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide
SMILESCC(=Cc1ccc(C(=O)NO)cc1)CNc1ccc2c(c1)OCC=C2C
InChIInChI=1S/C21H22N2O3/c1-14(11-16-3-5-17(6-4-16)21(24)23-25)13-22-18-7-8-19-15(2)9-10-26-20(19)12-18/h3-9,11-12,22,25H,10,13H2,1-2H3,(H,23,24)
InChIKeyFXHGDIYDFMCROH-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.12
Rot. Bonds5

About N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide

N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide (PubChem CID 173185552) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide
PubChem CID173185552
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide
SMILESCC(=Cc1ccc(C(=O)NO)cc1)CNc1ccc2c(c1)OCC=C2C
InChIInChI=1S/C21H22N2O3/c1-14(11-16-3-5-17(6-4-16)21(24)23-25)13-22-18-7-8-19-15(2)9-10-26-20(19)12-18/h3-9,11-12,22,25H,10,13H2,1-2H3,(H,23,24)
InChIKeyFXHGDIYDFMCROH-UHFFFAOYSA-N
XLogP4.12
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide?
The IUPAC name of N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide (CID 173185552) is N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide?
The canonical SMILES for N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide is CC(=Cc1ccc(C(=O)NO)cc1)CNc1ccc2c(c1)OCC=C2C.
What is the InChIKey of N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide?
The InChIKey is FXHGDIYDFMCROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14(11-16-3-5-17(6-4-16)21(24)23-25)13-22-18-7-8-19-15(2)9-10-26-20(19)12-18/h3-9,11-12,22,25H,10,13H2,1-2H3,(H,23,24).
What are the key properties of N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide?
N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide is sourced from PubChem (CID 173185552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).