4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

C18H24N2O — CID 43710188

IUPAC4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESNCc1ccc(C(=O)NC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C18H24N2O/c19-10-11-4-6-12(7-5-11)18(21)20-17-9-13-8-16(17)15-3-1-2-14(13)15/h4-7,13-17H,1-3,8-10,19H2,(H,20,21)
InChIKeyAQRHLCFJHOVUPW-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.70
Rot. Bonds3

About 4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide

4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (PubChem CID 43710188) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
PubChem CID43710188
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
SMILESNCc1ccc(C(=O)NC2CC3CC2C2CCCC32)cc1
InChIInChI=1S/C18H24N2O/c19-10-11-4-6-12(7-5-11)18(21)20-17-9-13-8-16(17)15-3-1-2-14(13)15/h4-7,13-17H,1-3,8-10,19H2,(H,20,21)
InChIKeyAQRHLCFJHOVUPW-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(1S,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 50909108
4-(2-amino-2-oxoethoxy)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 78851563
4-acetamido-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43063071
3-(methylsulfonylmethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066743
4-[(8-tricyclo[5.2.1.02,6]decanylamino)methyl]benzoic acid
CID 65347724
4-(aminomethyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82725520
3-cyano-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066723
4-(aminomethyl)-N-(2-benzylcyclopentyl)benzamide;hydrochloride
CID 119329447
3-[(2-oxopyrrolidin-1-yl)methyl]-N-[(1R,2R,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]benzamide
CID 124791514
1-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)cyclopentane-1-carboxamide
CID 81487100
2-(8-tricyclo[5.2.1.02,6]decanylcarbamoyl)pyridine-4-carboxylic acid
CID 122055921
2-bromo-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide
CID 43066709

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide (CID 43710188) is 4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is NCc1ccc(C(=O)NC2CC3CC2C2CCCC32)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
The InChIKey is AQRHLCFJHOVUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c19-10-11-4-6-12(7-5-11)18(21)20-17-9-13-8-16(17)15-3-1-2-14(13)15/h4-7,13-17H,1-3,8-10,19H2,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide?
4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide has a molecular weight of 284.40 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)benzamide is sourced from PubChem (CID 43710188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).