4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide

C17H22N2O — CID 50909108

IUPAC4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
SMILESNc1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2[C@H]2CCC[C@@H]32)cc1
InChIInChI=1S/C17H22N2O/c18-12-6-4-10(5-7-12)17(20)19-16-9-11-8-15(16)14-3-1-2-13(11)14/h4-7,11,13-16H,1-3,8-9,18H2,(H,19,20)/t11-,13-,14-,15-,16+/m0/s1
InChIKeyKVGVDLBGNKKCFB-VLVIQNCWSA-N
MW270.38 g/mol
LogP2.82
Rot. Bonds2

About 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide

4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide (PubChem CID 50909108) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
PubChem CID50909108
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
SMILESNc1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2[C@H]2CCC[C@@H]32)cc1
InChIInChI=1S/C17H22N2O/c18-12-6-4-10(5-7-12)17(20)19-16-9-11-8-15(16)14-3-1-2-13(11)14/h4-7,11,13-16H,1-3,8-9,18H2,(H,19,20)/t11-,13-,14-,15-,16+/m0/s1
InChIKeyKVGVDLBGNKKCFB-VLVIQNCWSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide with MolForge

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Related Compounds

4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43710188
4-acetamido-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43063071
4-(2-amino-2-oxoethoxy)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 78851563
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)pyridine-4-carboxylic acid
CID 122055921
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066743
2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066709
4-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119676181
2-bromo-3-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 107982436
3,6-dichloro-N-[(1R,2R,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]pyridine-2-carboxamide
CID 124785469
3,6-dichloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridine-2-carboxamide
CID 42958244

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide?
The IUPAC name of 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide (CID 50909108) is 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide.
What is the SMILES notation for 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide?
The canonical SMILES for 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide is Nc1ccc(C(=O)N[C@@H]2C[C@@H]3C[C@H]2[C@H]2CCC[C@@H]32)cc1.
What is the InChIKey of 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide?
The InChIKey is KVGVDLBGNKKCFB-VLVIQNCWSA-N. The full InChI is InChI=1S/C17H22N2O/c18-12-6-4-10(5-7-12)17(20)19-16-9-11-8-15(16)14-3-1-2-13(11)14/h4-7,11,13-16H,1-3,8-9,18H2,(H,19,20)/t11-,13-,14-,15-,16+/m0/s1.
What are the key properties of 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide?
4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide has a molecular weight of 270.38 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide is sourced from PubChem (CID 50909108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).