N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide

C18H23NO2 — CID 18834295

IUPACN-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(C(=O)C12CCC(CC1=O)C2(C)C)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-19(14-8-6-5-7-9-14)16(21)18-11-10-13(12-15(18)20)17(18,2)3/h5-9,13H,4,10-12H2,1-3H3
InChIKeyBOSDONVOLLBDJC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.43
Rot. Bonds3

About N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide

N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 18834295) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID18834295
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC NameN-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCCN(C(=O)C12CCC(CC1=O)C2(C)C)c1ccccc1
InChIInChI=1S/C18H23NO2/c1-4-19(14-8-6-5-7-9-14)16(21)18-11-10-13(12-15(18)20)17(18,2)3/h5-9,13H,4,10-12H2,1-3H3
InChIKeyBOSDONVOLLBDJC-UHFFFAOYSA-N
XLogP3.43
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate
CID 18834306
N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 170691352
[1-(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)-2-phenylethenyl]-trimethylazanium
CID 54524288
1-N-cyclopentyl-1-N'-ethyl-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108971848
N-ethyl-7,7-dimethyl-N-naphthalen-1-yl-2,3-dioxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834450
N-(2-bromophenyl)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 18834254
N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 102547267
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
(1S,4R)-N-ethyl-4,7,7-trimethyl-3-oxo-N-phenyl-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 830303
6-amino-N-ethyl-7,7-dimethyl-N-phenyl-2-oxabicyclo[3.2.0]heptane-6-carboxamide
CID 114945161
1-[1-[ethyl(phenyl)carbamoyl]piperidin-4-yl]cyclopropane-1-carboxylic acid
CID 166279360
S-(1,3-benzoxazol-2-yl) 7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbothioate
CID 18834305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide (CID 18834295) is N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide is CCN(C(=O)C12CCC(CC1=O)C2(C)C)c1ccccc1.
What is the InChIKey of N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is BOSDONVOLLBDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-19(14-8-6-5-7-9-14)16(21)18-11-10-13(12-15(18)20)17(18,2)3/h5-9,13H,4,10-12H2,1-3H3.
What are the key properties of N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide?
N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7,7-dimethyl-2-oxo-N-phenylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 18834295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).