N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide

C27H28N2O3 — CID 69361041

IUPACN-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide
SMILESCOc1cccc(NC(=O)c2cccc3ccccc23)c1C(=O)NC1CC2CCC1CC2
InChIInChI=1S/C27H28N2O3/c1-32-24-11-5-10-22(25(24)27(31)29-23-16-17-12-14-19(23)15-13-17)28-26(30)21-9-4-7-18-6-2-3-8-20(18)21/h2-11,17,19,23H,12-16H2,1H3,(H,28,30)(H,29,31)
InChIKeyXFQCFBAKQFKTEQ-UHFFFAOYSA-N
MW428.53 g/mol
LogP5.41
Rot. Bonds5

About N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide

N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide (PubChem CID 69361041) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide
PubChem CID69361041
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC NameN-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide
SMILESCOc1cccc(NC(=O)c2cccc3ccccc23)c1C(=O)NC1CC2CCC1CC2
InChIInChI=1S/C27H28N2O3/c1-32-24-11-5-10-22(25(24)27(31)29-23-16-17-12-14-19(23)15-13-17)28-26(30)21-9-4-7-18-6-2-3-8-20(18)21/h2-11,17,19,23H,12-16H2,1H3,(H,28,30)(H,29,31)
InChIKeyXFQCFBAKQFKTEQ-UHFFFAOYSA-N
XLogP5.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(cyclobutylmethylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide
CID 11560152
N-[3-methoxy-2-(piperidin-1-ylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 11553171
N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 11647671
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
N-[3-[(2-methoxyphenyl)carbamoyl]phenyl]naphthalene-1-carboxamide
CID 34636649
2-(difluoromethoxy)-3-methoxy-N-naphthalen-1-ylbenzamide
CID 112762767
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
N-(2-aminocyclopropyl)naphthalene-1-carboxamide
CID 43593836
N-[2-[(2R)-3-(2-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]naphthalene-1-carboxamide
CID 93126420
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide (CID 69361041) is N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide is COc1cccc(NC(=O)c2cccc3ccccc23)c1C(=O)NC1CC2CCC1CC2.
What is the InChIKey of N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide?
The InChIKey is XFQCFBAKQFKTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O3/c1-32-24-11-5-10-22(25(24)27(31)29-23-16-17-12-14-19(23)15-13-17)28-26(30)21-9-4-7-18-6-2-3-8-20(18)21/h2-11,17,19,23H,12-16H2,1H3,(H,28,30)(H,29,31).
What are the key properties of N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide?
N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide has a molecular weight of 428.53 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 69361041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).