3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide

C17H24N2O2 — CID 63688831

IUPAC3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2CC3CCC2C3)cc1N
InChIInChI=1S/C17H24N2O2/c1-19(10-14-8-11-3-4-12(14)7-11)17(20)13-5-6-16(21-2)15(18)9-13/h5-6,9,11-12,14H,3-4,7-8,10,18H2,1-2H3
InChIKeyXDAAIGXZRFYLHJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.79
Rot. Bonds4

About 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide

3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide (PubChem CID 63688831) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
PubChem CID63688831
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)CC2CC3CCC2C3)cc1N
InChIInChI=1S/C17H24N2O2/c1-19(10-14-8-11-3-4-12(14)7-11)17(20)13-5-6-16(21-2)15(18)9-13/h5-6,9,11-12,14H,3-4,7-8,10,18H2,1-2H3
InChIKeyXDAAIGXZRFYLHJ-UHFFFAOYSA-N
XLogP2.79
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-bromo-4-methoxy-N-methylbenzamide
CID 63682333
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4-dihydroxy-N-methylbenzamide
CID 107728501
N-(2-bicyclo[2.2.1]heptanylmethyl)-6-bromo-N-methylpyridine-3-carboxamide
CID 66464343
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-trifluoro-N-methylbenzamide
CID 63682271
N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 63686305
N-[(3-amino-4-methoxyphenyl)methyl]-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 60971610
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide
CID 104782928
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-4-methoxy-N-methylbenzamide
CID 43572549
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2,5-difluoro-N-methylbenzamide
CID 107121074
2-bicyclo[2.2.1]heptanylmethyl 3-amino-4-ethoxybenzoate
CID 79561467
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379569
4-amino-N-[(3-hydroxycyclobutyl)methyl]-3-methoxy-N-methylbenzamide
CID 104783050

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide (CID 63688831) is 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)CC2CC3CCC2C3)cc1N.
What is the InChIKey of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide?
The InChIKey is XDAAIGXZRFYLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(10-14-8-11-3-4-12(14)7-11)17(20)13-5-6-16(21-2)15(18)9-13/h5-6,9,11-12,14H,3-4,7-8,10,18H2,1-2H3.
What are the key properties of 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide?
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide has a molecular weight of 288.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 63688831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).