3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide

C18H24N2O3 — CID 4711148

IUPAC3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1cccc(NC(=O)C23CCC(C)(C(=NO)C2)C3(C)C)c1
InChIInChI=1S/C18H24N2O3/c1-16(2)17(3)8-9-18(16,11-14(17)20-22)15(21)19-12-6-5-7-13(10-12)23-4/h5-7,10,22H,8-9,11H2,1-4H3,(H,19,21)
InChIKeyBSXXGBICDDAMRY-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.68
Rot. Bonds3

About 3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide

3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 4711148) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID4711148
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCOc1cccc(NC(=O)C23CCC(C)(C(=NO)C2)C3(C)C)c1
InChIInChI=1S/C18H24N2O3/c1-16(2)17(3)8-9-18(16,11-14(17)20-22)15(21)19-12-6-5-7-13(10-12)23-4/h5-7,10,22H,8-9,11H2,1-4H3,(H,19,21)
InChIKeyBSXXGBICDDAMRY-UHFFFAOYSA-N
XLogP3.68
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide
CID 50930153
[[4-[(3-methoxyphenyl)carbamoyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 4-methoxybenzoate
CID 4714260
(1S,3Z,4S)-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 98145922
N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2928915
(1R,4S)-N-(4-methoxyphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 887118
3-[(3-methoxyphenyl)carbamoyl]-1,2,2,3-tetramethylcyclopentane-1-carboxylic acid
CID 4729422
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
(3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
CID 18830181
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide (CID 4711148) is 3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide is COc1cccc(NC(=O)C23CCC(C)(C(=NO)C2)C3(C)C)c1.
What is the InChIKey of 3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is BSXXGBICDDAMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-16(2)17(3)8-9-18(16,11-14(17)20-22)15(21)19-12-6-5-7-13(10-12)23-4/h5-7,10,22H,8-9,11H2,1-4H3,(H,19,21).
What are the key properties of 3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyimino-N-(3-methoxyphenyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 4711148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).