N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide

C17H24N2O — CID 61309353

IUPACN-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C17H24N2O/c1-11(2)17(20)19-15-5-3-4-14(10-15)18-16-9-12-6-7-13(16)8-12/h3-5,10-13,16,18H,6-9H2,1-2H3,(H,19,20)
InChIKeyCAUGFBNPYZPFFX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.88
Rot. Bonds4

About N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide

N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide (PubChem CID 61309353) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide
PubChem CID61309353
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC2CC3CCC2C3)c1
InChIInChI=1S/C17H24N2O/c1-11(2)17(20)19-15-5-3-4-14(10-15)18-16-9-12-6-7-13(16)8-12/h3-5,10-13,16,18H,6-9H2,1-2H3,(H,19,20)
InChIKeyCAUGFBNPYZPFFX-UHFFFAOYSA-N
XLogP3.88
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]acetamide
CID 61309519
N-[3-[(2,4-dimethylcyclohexyl)amino]phenyl]-2-methylpropanamide
CID 64761440
N-(3-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 55198635
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]methanesulfonamide
CID 61310120
3-(2-bicyclo[2.2.1]heptanylamino)-N,N-diethylbenzamide
CID 61309718
N-(3-ethylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 54595835
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 43710007
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
9-amino-N-[3-(2-methylpropanoylamino)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985581
N-[3-(2-methoxyethoxy)phenyl]bicyclo[2.2.1]heptan-2-amine
CID 61309747
N-[3-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119281759

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide (CID 61309353) is N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC2CC3CCC2C3)c1.
What is the InChIKey of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide?
The InChIKey is CAUGFBNPYZPFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11(2)17(20)19-15-5-3-4-14(10-15)18-16-9-12-6-7-13(16)8-12/h3-5,10-13,16,18H,6-9H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide?
N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bicyclo[2.2.1]heptanylamino)phenyl]-2-methylpropanamide is sourced from PubChem (CID 61309353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).