(1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide

C18H24N2O2 — CID 50930153

IUPAC(1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1cccc(NC(=O)[C@]23CC[C@@](C)(/C(=N\O)C2)C3(C)C)c1
InChIInChI=1S/C18H24N2O2/c1-12-6-5-7-13(10-12)19-15(21)18-9-8-17(4,16(18,2)3)14(11-18)20-22/h5-7,10,22H,8-9,11H2,1-4H3,(H,19,21)/b20-14-/t17-,18-/m0/s1
InChIKeyVWCWMIWZTVRELG-FNSOMLPHSA-N
MW300.40 g/mol
LogP3.98
Rot. Bonds2

About (1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide

(1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 50930153) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID50930153
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCc1cccc(NC(=O)[C@]23CC[C@@](C)(/C(=N\O)C2)C3(C)C)c1
InChIInChI=1S/C18H24N2O2/c1-12-6-5-7-13(10-12)19-15(21)18-9-8-17(4,16(18,2)3)14(11-18)20-22/h5-7,10,22H,8-9,11H2,1-4H3,(H,19,21)/b20-14-/t17-,18-/m0/s1
InChIKeyVWCWMIWZTVRELG-FNSOMLPHSA-N
XLogP3.98
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(1S,3Z,4S)-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 98145922
(3Z)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6416664
N-(3-chlorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 23945554
[(Z)-[4-[(3,5-dimethylphenyl)carbamoyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 2-chlorobenzoate
CID 6198126
[(Z)-[4-[(3,5-dimethylphenyl)carbamoyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 3-nitrobenzoate
CID 6198132
(3E)-N-(furan-2-ylmethyl)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
CID 18830181
(1R,4R)-4,7,7-trimethyl-3-oxo-N-[3-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-1-carboxamide
CID 6558835
1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
[[4-[(3,5-dimethylphenyl)carbamoyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 4-nitrobenzoate
CID 4714082
[(Z)-[4-[(2,5-dimethylphenyl)carbamoyl]-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino] 2-bromobenzoate
CID 6198289
sodium (3E)-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 23664089
N-(3-methylphenyl)acetamide
CID 10843

Frequently Asked Questions

What is the IUPAC name of (1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide (CID 50930153) is (1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide is Cc1cccc(NC(=O)[C@]23CC[C@@](C)(/C(=N\O)C2)C3(C)C)c1.
What is the InChIKey of (1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is VWCWMIWZTVRELG-FNSOMLPHSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12-6-5-7-13(10-12)19-15(21)18-9-8-17(4,16(18,2)3)14(11-18)20-22/h5-7,10,22H,8-9,11H2,1-4H3,(H,19,21)/b20-14-/t17-,18-/m0/s1.
What are the key properties of (1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide?
(1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3Z,4R)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 50930153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).