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

C18H26N2O — CID 61309718

IUPAC3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C18H26N2O/c1-3-20(4-2)18(21)15-6-5-7-16(12-15)19-17-11-13-8-9-14(17)10-13/h5-7,12-14,17,19H,3-4,8-11H2,1-2H3
InChIKeySJBOAVZGCHONBG-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.77
Rot. Bonds5

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

3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide (PubChem CID 61309718) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide
PubChem CID61309718
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C18H26N2O/c1-3-20(4-2)18(21)15-6-5-7-16(12-15)19-17-11-13-8-9-14(17)10-13/h5-7,12-14,17,19H,3-4,8-11H2,1-2H3
InChIKeySJBOAVZGCHONBG-UHFFFAOYSA-N
XLogP3.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide
CID 61309519
N,N-diethyl-3-(thian-4-ylamino)benzamide
CID 43511332
2-[4-(2-bicyclo[2.2.1]heptanylamino)phenyl]-N,N-diethylacetamide
CID 75398577
N,N-diethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 115972146
1-N,4-N-bis[3-(diethylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17195088
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
3-(cyclopropylcarbamothioylamino)-N,N-diethylbenzamide
CID 8629357
3-[(3-aminocyclopentanecarbonyl)amino]-N,N-diethylbenzamide
CID 119685393
N,N-diethyl-3-[[(1R,2R)-2-methylcyclohexyl]carbamothioylamino]benzamide
CID 8629370
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
CID 61310120
N-[3-(diethylcarbamoyl)phenyl]oxane-4-carboxamide
CID 31973447
ethyl 3-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]carbamothioylamino]benzoate
CID 100593596

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide (CID 61309718) is 3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(NC2CC3CCC2C3)c1.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide?
The InChIKey is SJBOAVZGCHONBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-20(4-2)18(21)15-6-5-7-16(12-15)19-17-11-13-8-9-14(17)10-13/h5-7,12-14,17,19H,3-4,8-11H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide?
3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide has a molecular weight of 286.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide is sourced from PubChem (CID 61309718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).