9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide

C18H26N2O — CID 120983348

IUPAC9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC3CCCC(C2)C3N)c(C)c1
InChIInChI=1S/C18H26N2O/c1-11-6-7-16(12(2)8-11)20-18(21)15-9-13-4-3-5-14(10-15)17(13)19/h6-8,13-15,17H,3-5,9-10,19H2,1-2H3,(H,20,21)
InChIKeyGPLQIIWIGQLVBX-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.40
Rot. Bonds2

About 9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide

9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120983348) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound Name9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120983348
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide
SMILESCc1ccc(NC(=O)C2CC3CCCC(C2)C3N)c(C)c1
InChIInChI=1S/C18H26N2O/c1-11-6-7-16(12(2)8-11)20-18(21)15-9-13-4-3-5-14(10-15)17(13)19/h6-8,13-15,17H,3-5,9-10,19H2,1-2H3,(H,20,21)
InChIKeyGPLQIIWIGQLVBX-UHFFFAOYSA-N
XLogP3.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9-amino-N-(4-methoxy-2-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988721
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
9-amino-N-[2-(2-chloro-4-methylanilino)-2-oxoethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120987894
9-amino-N-(4-chloro-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120993419
9-amino-N-[5-(2,2-dimethylpropanoylamino)-2-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989651
9-amino-N-(3-bromo-2-hydroxy-5-methylphenyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120994159
(1R)-N-(2,4-dimethylphenyl)-3-iodocyclopentane-1-carboxamide
CID 90130717
9-amino-N-(5-ethyl-2-hydroxyphenyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120991518
4-N-tert-butyl-1-N-(2,4-dimethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149567
N-(2,4-dimethylphenyl)-4-(4-ethylcyclohexyl)cyclohexane-1-carboxamide
CID 157168995
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of 9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide (CID 120983348) is 9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for 9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for 9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide is Cc1ccc(NC(=O)C2CC3CCCC(C2)C3N)c(C)c1.
What is the InChIKey of 9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is GPLQIIWIGQLVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-11-6-7-16(12(2)8-11)20-18(21)15-9-13-4-3-5-14(10-15)17(13)19/h6-8,13-15,17H,3-5,9-10,19H2,1-2H3,(H,20,21).
What are the key properties of 9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide?
9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 286.42 g/mol, XLogP of 3.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-(2,4-dimethylphenyl)bicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120983348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).