4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide

C16H22N2O — CID 61309173

IUPAC4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC2CC3CCC2C3)c(C)c1
InChIInChI=1S/C16H22N2O/c1-10-7-13(16(19)17-2)5-6-14(10)18-15-9-11-3-4-12(15)8-11/h5-7,11-12,15,18H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyVWNIUZKIHZMAIA-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.96
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide

4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide (PubChem CID 61309173) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide
PubChem CID61309173
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC2CC3CCC2C3)c(C)c1
InChIInChI=1S/C16H22N2O/c1-10-7-13(16(19)17-2)5-6-14(10)18-15-9-11-3-4-12(15)8-11/h5-7,11-12,15,18H,3-4,8-9H2,1-2H3,(H,17,19)
InChIKeyVWNIUZKIHZMAIA-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,3-dimethyl-4-[(2-methylcyclopentyl)amino]benzamide
CID 65044342
N-(2-methyl-4-propan-2-yloxyphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451149
N,3-dimethyl-4-[(3-propan-2-ylcyclobutyl)amino]benzamide
CID 103561516
(1S,2R,4S)-N-(2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526668
N-(4-ethoxy-2-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63451179
methyl 3-(2-bicyclo[2.2.1]heptanylamino)-4-fluorobenzoate
CID 61308025
N,3-dimethyl-4-(oxepan-4-ylamino)benzamide
CID 65081443
4-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]-N-methylbenzamide
CID 11917380
ethyl 4-amino-3-(2-bicyclo[2.2.1]heptanylamino)benzoate
CID 82796182
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N,3-dimethylbenzamide
CID 60868336
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-ylamino)-N,3-dimethylbenzamide
CID 102773287
3-[(2,5-dimethylcyclohexyl)amino]-N,4-dimethylbenzamide
CID 64762636

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide (CID 61309173) is 4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC2CC3CCC2C3)c(C)c1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide?
The InChIKey is VWNIUZKIHZMAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-7-13(16(19)17-2)5-6-14(10)18-15-9-11-3-4-12(15)8-11/h5-7,11-12,15,18H,3-4,8-9H2,1-2H3,(H,17,19).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide?
4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide has a molecular weight of 258.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylamino)-N,3-dimethylbenzamide is sourced from PubChem (CID 61309173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).