N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide

C20H23N3O2 — CID 75045118

IUPACN-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
SMILESCc1ccc(N2CC3CC2CN3c2ccc(C(=O)N(C)O)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-14-3-7-16(8-4-14)22-12-19-11-18(22)13-23(19)17-9-5-15(6-10-17)20(24)21(2)25/h3-10,18-19,25H,11-13H2,1-2H3
InChIKeyVEPCDCAVIGFPNN-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.92
Rot. Bonds3

About N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide

N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide (PubChem CID 75045118) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
PubChem CID75045118
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
SMILESCc1ccc(N2CC3CC2CN3c2ccc(C(=O)N(C)O)cc2)cc1
InChIInChI=1S/C20H23N3O2/c1-14-3-7-16(8-4-14)22-12-19-11-18(22)13-23(19)17-9-5-15(6-10-17)20(24)21(2)25/h3-10,18-19,25H,11-13H2,1-2H3
InChIKeyVEPCDCAVIGFPNN-UHFFFAOYSA-N
XLogP2.92
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]ethanone
CID 84793811
N-hydroxy-2-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidine-5-carboxamide
CID 25190149
(1S,4S)-5-(4-acetylphenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 66877927
(E)-1-(2-hydroxyphenyl)-3-[(1R,4R)-5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]prop-2-en-1-one
CID 167579400
tert-butyl (1S,4S)-5-[4-[3-(dimethylamino)prop-2-enoyl]phenyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 90909826
tert-butyl (1S,4S)-5-[4-(3-azabicyclo[3.2.2]nonane-3-carbonyl)phenyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
CID 66629727
4-[(1R,4R)-5-(3-isocyanophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzoic acid
CID 59783849
N-carbamoyl-N,4-dimethylbenzamide
CID 69411182
[(1R,2R)-2-(4-methylbenzoyl)cyclopropyl]-(4-methylphenyl)methanone
CID 12032685
ethyl 4-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]benzoate
CID 70672819
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The IUPAC name of N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide (CID 75045118) is N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide.
What is the SMILES notation for N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The canonical SMILES for N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide is Cc1ccc(N2CC3CC2CN3c2ccc(C(=O)N(C)O)cc2)cc1.
What is the InChIKey of N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
The InChIKey is VEPCDCAVIGFPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-3-7-16(8-4-14)22-12-19-11-18(22)13-23(19)17-9-5-15(6-10-17)20(24)21(2)25/h3-10,18-19,25H,11-13H2,1-2H3.
What are the key properties of N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide?
N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide has a molecular weight of 337.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-4-[5-(4-methylphenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide is sourced from PubChem (CID 75045118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).