N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide

C18H26N2O — CID 43458967

IUPACN-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
SMILESCCN(Cc1cccc(N)c1)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C18H26N2O/c1-2-20(12-14-4-3-5-17(19)10-14)18(21)11-16-9-13-6-7-15(16)8-13/h3-5,10,13,15-16H,2,6-9,11-12,19H2,1H3
InChIKeyLKIQBOVVHKEAIM-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.44
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide

N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide (PubChem CID 43458967) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
PubChem CID43458967
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
SMILESCCN(Cc1cccc(N)c1)C(=O)CC1CC2CCC1C2
InChIInChI=1S/C18H26N2O/c1-2-20(12-14-4-3-5-17(19)10-14)18(21)11-16-9-13-6-7-15(16)8-13/h3-5,10,13,15-16H,2,6-9,11-12,19H2,1H3
InChIKeyLKIQBOVVHKEAIM-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 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 ≤ 53.44
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)methyl]-N-ethyl-3-methylbutanamide
CID 43459012
1-[(3-aminophenyl)methyl]-1-cyclopropyl-3,3-diethylurea
CID 79154554
N-(2-aminophenyl)-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide
CID 62102464
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
N-[(3-aminophenyl)methyl]-N-ethyl-3,4,4-trimethylpentanamide
CID 63833207
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135830066
2-(2-bicyclo[2.2.1]heptanyl)-N-(3-hydroxyphenyl)-N-methylacetamide
CID 107736090
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-N-(piperidin-2-ylmethyl)acetamide
CID 106625989
N-(3-aminophenyl)-N-ethylbicyclo[2.2.1]heptane-2-carboxamide
CID 63229707

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide (CID 43458967) is N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide is CCN(Cc1cccc(N)c1)C(=O)CC1CC2CCC1C2.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide?
The InChIKey is LKIQBOVVHKEAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-20(12-14-4-3-5-17(19)10-14)18(21)11-16-9-13-6-7-15(16)8-13/h3-5,10,13,15-16H,2,6-9,11-12,19H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide?
N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide has a molecular weight of 286.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)-N-ethylacetamide is sourced from PubChem (CID 43458967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).