N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide

C19H26N2O3 — CID 108514526

IUPACN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C19H26N2O3/c1-3-24-16-8-6-15(7-9-16)21-19(23)18(22)20-12(2)17-11-13-4-5-14(17)10-13/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySPISTINRBVOBNT-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.96
Rot. Bonds5

About N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide

N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide (PubChem CID 108514526) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide
PubChem CID108514526
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC(C)C2CC3CCC2C3)cc1
InChIInChI=1S/C19H26N2O3/c1-3-24-16-8-6-15(7-9-16)21-19(23)18(22)20-12(2)17-11-13-4-5-14(17)10-13/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeySPISTINRBVOBNT-UHFFFAOYSA-N
XLogP2.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 51163159
2-[4-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoylamino]phenoxy]-N,N-dimethylacetamide
CID 47033715
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(2,5-dimethoxyphenyl)oxamide
CID 108512002
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 3878614
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 129377514
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 98390321
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-[(4-methylphenoxy)methyl]urea
CID 108893091
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3,4,5-triethoxybenzamide
CID 98194442
1-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-phenylurea
CID 98258446

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide?
The IUPAC name of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide (CID 108514526) is N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NC(C)C2CC3CCC2C3)cc1.
What is the InChIKey of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide?
The InChIKey is SPISTINRBVOBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-24-16-8-6-15(7-9-16)21-19(23)18(22)20-12(2)17-11-13-4-5-14(17)10-13/h6-9,12-14,17H,3-5,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide?
N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide has a molecular weight of 330.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 108514526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).