N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

C20H27NO3 — CID 170691352

IUPACN-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)C12CCC(CC1=O)C2(C)C
InChIInChI=1S/C20H27NO3/c1-5-24-16-9-7-6-8-14(16)13-21(4)18(23)20-11-10-15(12-17(20)22)19(20,2)3/h6-9,15H,5,10-13H2,1-4H3
InChIKeyUONZUHGDSMGBMD-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.44
Rot. Bonds5

About N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 170691352) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
PubChem CID170691352
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC NameN-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)C12CCC(CC1=O)C2(C)C
InChIInChI=1S/C20H27NO3/c1-5-24-16-9-7-6-8-14(16)13-21(4)18(23)20-11-10-15(12-17(20)22)19(20,2)3/h6-9,15H,5,10-13H2,1-4H3
InChIKeyUONZUHGDSMGBMD-UHFFFAOYSA-N
XLogP3.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 115452916
1-amino-N-[(2-ethoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 60963653
1-(aminomethyl)-N-[(2-ethoxyphenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 81487244
N-[(2-ethoxyphenyl)methyl]-N,3-dimethylpiperidine-3-carboxamide
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(3S)-N-[(2-ethoxyphenyl)methyl]-3-fluoro-N-methylpyrrolidine-3-carboxamide
CID 124588666
2-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 54873700
2-bromo-N-[(2-ethoxyphenyl)methyl]-N-methylacetamide
CID 63678589
3-(cyclopropylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylpropanamide
CID 60962807
(2R)-N-[(2-ethoxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 103809566
N-[(2-ethoxyphenyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 63005308
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 54873676
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119738443

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide (CID 170691352) is N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is CCOc1ccccc1CN(C)C(=O)C12CCC(CC1=O)C2(C)C.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is UONZUHGDSMGBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-5-24-16-9-7-6-8-14(16)13-21(4)18(23)20-11-10-15(12-17(20)22)19(20,2)3/h6-9,15H,5,10-13H2,1-4H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide?
N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-N,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 170691352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).