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

C16H22N2O2 — CID 104782928

IUPAC4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2CC3CCC2C3)ccc1N
InChIInChI=1S/C16H22N2O2/c1-20-15-8-12(4-5-14(15)17)16(19)18-9-13-7-10-2-3-11(13)6-10/h4-5,8,10-11,13H,2-3,6-7,9,17H2,1H3,(H,18,19)
InChIKeyAABVEEXQJNBDAC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.44
Rot. Bonds4

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

4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide (PubChem CID 104782928) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide
PubChem CID104782928
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC2CC3CCC2C3)ccc1N
InChIInChI=1S/C16H22N2O2/c1-20-15-8-12(4-5-14(15)17)16(19)18-9-13-7-10-2-3-11(13)6-10/h4-5,8,10-11,13H,2-3,6-7,9,17H2,1H3,(H,18,19)
InChIKeyAABVEEXQJNBDAC-UHFFFAOYSA-N
XLogP2.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107411010
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxy-3-methylbenzamide
CID 103956855
4-amino-3-methoxy-N-(thiolan-3-ylmethyl)benzamide
CID 107294730
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzenesulfonamide
CID 81441291
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,4,5-triethoxybenzamide
CID 60618253
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
CID 63687169
4-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methoxybenzamide
CID 104782948
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(N'-hydroxycarbamimidoyl)benzamide
CID 77017130
4-amino-N-(2,2-dicyclopropylethyl)-3-methoxybenzamide
CID 104783034
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
CID 63683122
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-methoxy-N-methylbenzamide
CID 63688831

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide (CID 104782928) is 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide is COc1cc(C(=O)NCC2CC3CCC2C3)ccc1N.
What is the InChIKey of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide?
The InChIKey is AABVEEXQJNBDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15-8-12(4-5-14(15)17)16(19)18-9-13-7-10-2-3-11(13)6-10/h4-5,8,10-11,13H,2-3,6-7,9,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide?
4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide has a molecular weight of 274.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-3-methoxybenzamide is sourced from PubChem (CID 104782928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).