N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

C15H18N2O4 — CID 21084211

IUPACN-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCOc1ccc(C(=O)N2C3CCC(C3)C2C(=O)NO)cc1
InChIInChI=1S/C15H18N2O4/c1-21-12-6-3-9(4-7-12)15(19)17-11-5-2-10(8-11)13(17)14(18)16-20/h3-4,6-7,10-11,13,20H,2,5,8H2,1H3,(H,16,18)
InChIKeyAWLUDZXHRHTNKC-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.19
Rot. Bonds3

About N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide

N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide (PubChem CID 21084211) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
PubChem CID21084211
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC NameN-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide
SMILESCOc1ccc(C(=O)N2C3CCC(C3)C2C(=O)NO)cc1
InChIInChI=1S/C15H18N2O4/c1-21-12-6-3-9(4-7-12)15(19)17-11-5-2-10(8-11)13(17)14(18)16-20/h3-4,6-7,10-11,13,20H,2,5,8H2,1H3,(H,16,18)
InChIKeyAWLUDZXHRHTNKC-UHFFFAOYSA-N
XLogP1.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.19
H-Bond Donors ≤ 52
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

(4-methoxyphenyl)-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90615848
9-(4-methoxybenzoyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 134795364
(4-methoxyphenyl)-(2-methylaziridin-1-yl)methanone
CID 11194838
[(1S,3R,4S)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone
CID 98057399
ethyl (1R,3S,4S)-2-[4-(2-methyl-1,2,4-triazol-3-yl)benzoyl]-2-azabicyclo[2.2.1]heptane-3-carboxylate
CID 167912164
cyclopropyl-[(3S)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 110211728
(1S,3R)-2-(4-butoxyphenyl)sulfonyl-N-hydroxy-2-azabicyclo[2.2.1]heptane-3-carboxamide
CID 89372918
2-methoxyethyl (1S,2R,5R)-2-(hydroxycarbamoyl)-3-[4-(4-methoxyphenoxy)piperazin-1-yl]sulfonyl-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 176810047
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 80670377
1,4-diazabicyclo[3.2.2]nonan-4-yl-(4-methoxyphenyl)methanone
CID 10355250
[(3R)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-2-ylmethanone
CID 110211715
[(3S)-3-[(4-methoxyphenoxy)methyl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-2-ylmethanone
CID 110211700

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The IUPAC name of N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide (CID 21084211) is N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide is COc1ccc(C(=O)N2C3CCC(C3)C2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
The InChIKey is AWLUDZXHRHTNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-21-12-6-3-9(4-7-12)15(19)17-11-5-2-10(8-11)13(17)14(18)16-20/h3-4,6-7,10-11,13,20H,2,5,8H2,1H3,(H,16,18).
What are the key properties of N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide?
N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-methoxybenzoyl)-2-azabicyclo[2.2.1]heptane-3-carboxamide is sourced from PubChem (CID 21084211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).