N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide

C18H24N2O2 — CID 108508984

IUPACN-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C18H24N2O2/c1-12(16-10-14-7-8-15(16)9-14)20-18(22)17(21)19-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyBWRQCRRMFJVFQD-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.24
Rot. Bonds4

About N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide

N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide (PubChem CID 108508984) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide
PubChem CID108508984
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide
SMILESCC(NC(=O)C(=O)NCc1ccccc1)C1CC2CCC1C2
InChIInChI=1S/C18H24N2O2/c1-12(16-10-14-7-8-15(16)9-14)20-18(22)17(21)19-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyBWRQCRRMFJVFQD-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(1R)-N-benzyl-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethanamine
CID 129428816
N-benzyl-1-(2-bicyclo[2.2.1]heptanyl)ethanamine
CID 43178334
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-methylpropyl)oxamide
CID 108504925
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2-chloroethyl)oxamide
CID 108514035
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,3-diphenylpropanamide
CID 4526880
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]naphthalene-1-carboxamide
CID 2933783
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
methyl 2-[[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108512533
(E)-N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylprop-2-enamide
CID 98510446
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-naphthalen-1-ylurea
CID 18285320
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 98161251

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide?
The IUPAC name of N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide (CID 108508984) is N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide?
The canonical SMILES for N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide is CC(NC(=O)C(=O)NCc1ccccc1)C1CC2CCC1C2.
What is the InChIKey of N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide?
The InChIKey is BWRQCRRMFJVFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(16-10-14-7-8-15(16)9-14)20-18(22)17(21)19-11-13-5-3-2-4-6-13/h2-6,12,14-16H,7-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide?
N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide has a molecular weight of 300.40 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]oxamide is sourced from PubChem (CID 108508984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).