3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide

C18H23NO2 — CID 2950385

IUPAC3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C(=O)C2(C(=O)NCCc3ccccc3)CCC1C2
InChIInChI=1S/C18H23NO2/c1-17(2)14-8-10-18(12-14,15(17)20)16(21)19-11-9-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,19,21)
InChIKeyOLGKBGCRLORXQB-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.74
Rot. Bonds4

About 3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide

3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 2950385) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide
PubChem CID2950385
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)C(=O)C2(C(=O)NCCc3ccccc3)CCC1C2
InChIInChI=1S/C18H23NO2/c1-17(2)14-8-10-18(12-14,15(17)20)16(21)19-11-9-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,19,21)
InChIKeyOLGKBGCRLORXQB-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 1319645
(1S,4R)-1-(4-benzylpiperidine-1-carbonyl)-4,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
CID 2942010
N-benzyl-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2951199
4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide
CID 51354308
3-phenyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 4895495
N-benzylbicyclo[2.2.1]heptane-2-carboxamide
CID 5111932
9-Allyl-9H-fluorene-9-carboxylic acid ethylamide
CID 22891395
1-phenyl-N-(3-phenylpropyl)cyclopentane-1-carboxamide
CID 1719570
1-phenyl-N-[(1-phenylcyclopentyl)methyl]cyclopentane-1-carboxamide
CID 1727038
N-(2-phenylethyl)-4-propan-2-ylcyclohexane-1-carboxamide
CID 14233129
3-oxo-N-(2-phenylethyl)dodecanamide
CID 50991276
N-[(4-fluorophenyl)methyl](4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptyl)carboxami de
CID 2975074

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of 3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide (CID 2950385) is 3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide is CC1(C)C(=O)C2(C(=O)NCCc3ccccc3)CCC1C2.
What is the InChIKey of 3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is OLGKBGCRLORXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-17(2)14-8-10-18(12-14,15(17)20)16(21)19-11-9-13-6-4-3-5-7-13/h3-7,14H,8-12H2,1-2H3,(H,19,21).
What are the key properties of 3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide?
3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-oxo-N-(2-phenylethyl)bicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 2950385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).