4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane

C18H28N2O — CID 143919440

IUPAC4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane
SMILESCC.Cc1cccc(NC(=O)C23CCC(N)(CC2)CC3)c1
InChIInChI=1S/C16H22N2O.C2H6/c1-12-3-2-4-13(11-12)18-14(19)15-5-8-16(17,9-6-15)10-7-15;1-2/h2-4,11H,5-10,17H2,1H3,(H,18,19);1-2H3
InChIKeyBUIBYEJXWNGLBM-UHFFFAOYSA-N
MW288.44 g/mol
LogP4.01
Rot. Bonds2

About 4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane

4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane (PubChem CID 143919440) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane.

Molecular Properties

Compound Name4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane
PubChem CID143919440
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane
SMILESCC.Cc1cccc(NC(=O)C23CCC(N)(CC2)CC3)c1
InChIInChI=1S/C16H22N2O.C2H6/c1-12-3-2-4-13(11-12)18-14(19)15-5-8-16(17,9-6-15)10-7-15;1-2/h2-4,11H,5-10,17H2,1H3,(H,18,19);1-2H3
InChIKeyBUIBYEJXWNGLBM-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-bromophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980810
1-cyano-N-(3-methylphenyl)cyclopropane-1-carboxamide
CID 80599319
N-(3-methylphenyl)acetamide
CID 10843
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
1-N-(4-tert-butylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980760
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
1-N'-(2-ethyl-6-methylphenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980753
methyl 3-[[1-[(3-methylphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108980795
N-(3-methylphenyl)-1-(2-oxoazetidin-1-yl)cyclohexane-1-carboxamide
CID 691768
1-N'-(3-methylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974958
1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980761
3-hydroxy-N-(3-methylphenyl)piperidine-3-carboxamide
CID 84726978

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane?
The IUPAC name of 4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane (CID 143919440) is 4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane.
What is the SMILES notation for 4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane?
The canonical SMILES for 4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane is CC.Cc1cccc(NC(=O)C23CCC(N)(CC2)CC3)c1.
What is the InChIKey of 4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane?
The InChIKey is BUIBYEJXWNGLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.C2H6/c1-12-3-2-4-13(11-12)18-14(19)15-5-8-16(17,9-6-15)10-7-15;1-2/h2-4,11H,5-10,17H2,1H3,(H,18,19);1-2H3.
What are the key properties of 4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane?
4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane has a molecular weight of 288.44 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methylphenyl)bicyclo[2.2.2]octane-1-carboxamide;ethane is sourced from PubChem (CID 143919440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).