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

C25H30N2O2 — CID 18830162

IUPAC(3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)(C/C1=N\O)C2(C)C
InChIInChI=1S/C25H30N2O2/c1-23(2)24(3)14-15-25(23,16-21(24)26-29)22(28)27(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13,29H,14-18H2,1-3H3/b26-21+
InChIKeyBUDMUEDTOHCFAV-YYADALCUSA-N
MW390.53 g/mol
LogP5.26
Rot. Bonds5

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

(3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 18830162) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID18830162
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name(3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC12CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)(C/C1=N\O)C2(C)C
InChIInChI=1S/C25H30N2O2/c1-23(2)24(3)14-15-25(23,16-21(24)26-29)22(28)27(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13,29H,14-18H2,1-3H3/b26-21+
InChIKeyBUDMUEDTOHCFAV-YYADALCUSA-N
XLogP5.26
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.26
H-Bond Donors ≤ 51
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

N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 4713599
(3Z)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 6416641
(1R,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide
CID 50937528
N,N-dibenzyl-6-bromo-4-(dibromomethyl)-5,5-dimethylbicyclo[2.1.1]hexane-1-carboxamide
CID 4513009
(1R,3Z,4S)-3-(furan-2-carbonylhydrazinylidene)-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 27307341
N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
N-benzyl-N-(2-hydroxybutyl)-2-methylpyrrolidine-2-carboxamide
CID 110012200
N-benzyl-N-(2-bromoethyl)-1-ethylcyclopentane-1-carboxamide
CID 80662849
1-amino-N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutane-1-carboxamide
CID 81172115
1-amino-N-benzyl-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;hydrochloride
CID 171338056

Frequently Asked Questions

What is the IUPAC name of (3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide (CID 18830162) is (3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide is CC12CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)(C/C1=N\O)C2(C)C.
What is the InChIKey of (3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is BUDMUEDTOHCFAV-YYADALCUSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-23(2)24(3)14-15-25(23,16-21(24)26-29)22(28)27(17-19-10-6-4-7-11-19)18-20-12-8-5-9-13-20/h4-13,29H,14-18H2,1-3H3/b26-21+.
What are the key properties of (3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide?
(3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N,N-dibenzyl-3-hydroxyimino-4,7,7-trimethylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 18830162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).