(3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

C25H28N2O3 — CID 6416641

IUPAC(3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)(C(=O)/C1=N\O)C2(C)C
InChIInChI=1S/C25H28N2O3/c1-23(2)24(3)14-15-25(23,21(28)20(24)26-30)22(29)27(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,30H,14-17H2,1-3H3/b26-20+
InChIKeyMOOXKOCVAOKNOC-LHLOQNFPSA-N
MW404.51 g/mol
LogP4.44
Rot. Bonds5

About (3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

(3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 6416641) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is (3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID6416641
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name(3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)(C(=O)/C1=N\O)C2(C)C
InChIInChI=1S/C25H28N2O3/c1-23(2)24(3)14-15-25(23,21(28)20(24)26-30)22(29)27(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,30H,14-17H2,1-3H3/b26-20+
InChIKeyMOOXKOCVAOKNOC-LHLOQNFPSA-N
XLogP4.44
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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

(3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
CID 18830162
N-(4-butylphenyl)-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6838795
(3Z)-3-hydroxyimino-4,7,7-trimethyl-N-(3-methylphenyl)-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6416664
3-hydroxyimino-4,7,7-trimethyl-2-oxo-N-pyridin-4-ylbicyclo[2.2.1]heptane-1-carboxamide
CID 6838804
N-(3,5-dichlorophenyl)-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6838807
N,N-dibenzyl-6-bromo-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide
CID 4513009
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
(1R)-N-(3-amino-3-oxopropyl)-N-benzyl-1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 99930222
N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide
CID 11022412
N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 4713599
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 6416641) is (3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)(C(=O)/C1=N\O)C2(C)C.
What is the InChIKey of (3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is MOOXKOCVAOKNOC-LHLOQNFPSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-23(2)24(3)14-15-25(23,21(28)20(24)26-30)22(29)27(16-18-10-6-4-7-11-18)17-19-12-8-5-9-13-19/h4-13,30H,14-17H2,1-3H3/b26-20+.
What are the key properties of (3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
(3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 6416641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).