4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide

C17H25N3O — CID 63356476

IUPAC4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NC(C)C2CC3CCC2C3)c1
InChIInChI=1S/C17H25N3O/c1-10(14-8-11-3-4-12(14)7-11)20-16-9-13(17(21)19-2)5-6-15(16)18/h5-6,9-12,14,20H,3-4,7-8,18H2,1-2H3,(H,19,21)
InChIKeyYUWHLDCEQKOKIM-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.87
Rot. Bonds4

About 4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide

4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide (PubChem CID 63356476) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide
PubChem CID63356476
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NC(C)C2CC3CCC2C3)c1
InChIInChI=1S/C17H25N3O/c1-10(14-8-11-3-4-12(14)7-11)20-16-9-13(17(21)19-2)5-6-15(16)18/h5-6,9-12,14,20H,3-4,7-8,18H2,1-2H3,(H,19,21)
InChIKeyYUWHLDCEQKOKIM-UHFFFAOYSA-N
XLogP2.87
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-methyl-3-[[1-(methylamino)-1-oxopropan-2-yl]amino]benzamide
CID 55190178
3-[[1-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 42916747
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 43517740
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-chlorobenzenecarbothioamide
CID 63518513
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-3-bromobenzenecarbothioamide
CID 82804908
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,1,3-benzoxadiazole-4,7-diamine
CID 43518470
4-amino-N-methyl-3-(3-methylpentan-2-ylamino)benzamide
CID 63357348
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 82989134
2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-4-chlorobenzoic acid
CID 63512018
4-N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzene-1,4-diamine
CID 43115419
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
CID 43721027
4-amino-3-[1-(4-fluorophenyl)ethylamino]-N-methylbenzamide
CID 63357131

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide (CID 63356476) is 4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(NC(C)C2CC3CCC2C3)c1.
What is the InChIKey of 4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide?
The InChIKey is YUWHLDCEQKOKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-10(14-8-11-3-4-12(14)7-11)20-16-9-13(17(21)19-2)5-6-15(16)18/h5-6,9-12,14,20H,3-4,7-8,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide?
4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide has a molecular weight of 287.41 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylbenzamide is sourced from PubChem (CID 63356476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).