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

C21H22N2O3 — CID 143194900

IUPACN-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide
SMILESCC1=Cc2ccc(NC/C(C)=C/c3ccc(C(=O)NO)cc3)cc2OC1
InChIInChI=1S/C21H22N2O3/c1-14(9-16-3-5-17(6-4-16)21(24)23-25)12-22-19-8-7-18-10-15(2)13-26-20(18)11-19/h3-11,22,25H,12-13H2,1-2H3,(H,23,24)/b14-9+
InChIKeyFYOOBCANDUCDNI-NTEUORMPSA-N
MW350.42 g/mol
LogP4.12
Rot. Bonds5

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

N-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide (PubChem CID 143194900) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide
PubChem CID143194900
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide
SMILESCC1=Cc2ccc(NC/C(C)=C/c3ccc(C(=O)NO)cc3)cc2OC1
InChIInChI=1S/C21H22N2O3/c1-14(9-16-3-5-17(6-4-16)21(24)23-25)12-22-19-8-7-18-10-15(2)13-26-20(18)11-19/h3-11,22,25H,12-13H2,1-2H3,(H,23,24)/b14-9+
InChIKeyFYOOBCANDUCDNI-NTEUORMPSA-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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Related Compounds

N-hydroxy-4-[2-methyl-3-[(4-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide
CID 173185552
N-hydroxy-4-[2-methyl-3-(4-phenoxyanilino)prop-1-enyl]benzamide
CID 73016288
7-chloro-3-methyl-2H-chromene
CID 20759998
N-hydroxy-4-[4-hydroxy-4-naphthalen-1-yl-2-[(naphthalen-2-ylamino)methyl]but-1-enyl]benzamide
CID 173185485
N-[4-(2-oxopropylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 22299162
N-[2-[2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-oxoethyl]-4-tert-butylbenzamide
CID 3988496
4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)benzamide
CID 2643480
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646
(Z)-N-tert-butyl-3-(3,4-dibromophenyl)-2-methylprop-2-en-1-amine
CID 114077605
N-[(E)-(4-tert-butylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 6902013
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide?
The IUPAC name of N-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide (CID 143194900) is N-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide is CC1=Cc2ccc(NC/C(C)=C/c3ccc(C(=O)NO)cc3)cc2OC1.
What is the InChIKey of N-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide?
The InChIKey is FYOOBCANDUCDNI-NTEUORMPSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14(9-16-3-5-17(6-4-16)21(24)23-25)12-22-19-8-7-18-10-15(2)13-26-20(18)11-19/h3-11,22,25H,12-13H2,1-2H3,(H,23,24)/b14-9+.
What are the key properties of N-hydroxy-4-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide?
N-hydroxy-4-[(E)-2-methyl-3-[(3-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-[(E)-2-methyl-3-[(3-methyl-2H-chromen-7-yl)amino]prop-1-enyl]benzamide is sourced from PubChem (CID 143194900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).