N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide

C16H22N2O — CID 63229707

IUPACN-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(C(=O)C1CC2CCC1C2)c1cccc(N)c1
InChIInChI=1S/C16H22N2O/c1-2-18(14-5-3-4-13(17)10-14)16(19)15-9-11-6-7-12(15)8-11/h3-5,10-12,15H,2,6-9,17H2,1H3
InChIKeyZAWRYBJKCHCSQT-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.06
Rot. Bonds3

About N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide

N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 63229707) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID63229707
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCCN(C(=O)C1CC2CCC1C2)c1cccc(N)c1
InChIInChI=1S/C16H22N2O/c1-2-18(14-5-3-4-13(17)10-14)16(19)15-9-11-6-7-12(15)8-11/h3-5,10-12,15H,2,6-9,17H2,1H3
InChIKeyZAWRYBJKCHCSQT-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminophenyl)-2-cyclopropyl-N-ethylacetamide
CID 63229837
N-benzyl-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 75853875
N-(3-aminophenyl)-3-cyclopentyl-N-ethylpropanamide
CID 63229916
N-(3-aminophenyl)-N-propylcyclohexanecarboxamide
CID 63229982
N-(3-amino-3-sulfanylidenepropyl)-N-phenylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365927
N-[(5-amino-2-chlorophenyl)methyl]-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 61363949
N-(3-aminophenyl)-N-ethyl-1-methylcyclohexane-1-carboxamide
CID 106826094
N-(3-aminophenyl)-N-ethylbenzamide
CID 63229786
N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
CID 43458967
N-(3-aminophenyl)-2-cyclopropyl-N-propylacetamide
CID 63229908
2-(3-amino-N-ethylanilino)-N-cyclopentylacetamide
CID 55175748
2-[N-(bicyclo[2.2.1]heptane-2-carbonyl)-4-hydroxyanilino]acetic acid
CID 60831127

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide (CID 63229707) is N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide is CCN(C(=O)C1CC2CCC1C2)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is ZAWRYBJKCHCSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-18(14-5-3-4-13(17)10-14)16(19)15-9-11-6-7-12(15)8-11/h3-5,10-12,15H,2,6-9,17H2,1H3.
What are the key properties of N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide?
N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 63229707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).