N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide

C19H26N2O2 — CID 4713599

IUPACN-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(C(=O)C12CCC(C)(C(=NO)C1)C2(C)C)c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-5-21(14-9-7-6-8-10-14)16(22)19-12-11-18(4,17(19,2)3)15(13-19)20-23/h6-10,23H,5,11-13H2,1-4H3
InChIKeyWKDLWRXLSLQWLU-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.09
Rot. Bonds3

About N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide

N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 4713599) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID4713599
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(C(=O)C12CCC(C)(C(=NO)C1)C2(C)C)c1ccccc1
InChIInChI=1S/C19H26N2O2/c1-5-21(14-9-7-6-8-10-14)16(22)19-12-11-18(4,17(19,2)3)15(13-19)20-23/h6-10,23H,5,11-13H2,1-4H3
InChIKeyWKDLWRXLSLQWLU-UHFFFAOYSA-N
XLogP4.09
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.09
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

(1S,4R)-N-ethyl-4,7,7-trimethyl-3-oxo-N-phenyl-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 830303
(1R,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide
CID 50937528
(1S,4R)-4,7,7-trimethyl-3-oxo-N,N-diphenylbicyclo[2.2.1]heptane-1-carboxamide
CID 7124033
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
CID 18834295
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-ethyl-2-[2-(N-ethylanilino)-2-oxoethoxy]-N-phenylacetamide
CID 52563694
N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 108973986
1-N-cyclopentyl-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971848
N-ethyl-2,2-dimethyl-N-phenylpropanamide
CID 4127582
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
1-ethyl-3-imino-1-phenylurea
CID 70142844

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide (CID 4713599) is N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide is CCN(C(=O)C12CCC(C)(C(=NO)C1)C2(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is WKDLWRXLSLQWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-21(14-9-7-6-8-10-14)16(22)19-12-11-18(4,17(19,2)3)15(13-19)20-23/h6-10,23H,5,11-13H2,1-4H3.
What are the key properties of N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hydroxyimino-4,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 4713599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).