5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine

C26H33F3N4O2 — CID 142228408

IUPAC5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine
SMILESCc1cc(C(=O)NCC2CCC(C)CC2)c(C(F)(F)F)o1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C15H20F3NO2.C11H13N3/c1-9-3-5-11(6-4-9)8-19-14(20)12-7-10(2)21-13(12)15(16,17)18;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h7,9,11H,3-6,8H2,1-2H3,(H,19,20);4-7H,1-3H3
InChIKeyKQSNHCHREVXKHS-UHFFFAOYSA-N
MW490.57 g/mol
LogP6.17
Rot. Bonds4

About 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine

5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine (PubChem CID 142228408) has the molecular formula C26H33F3N4O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine.

Molecular Properties

Compound Name5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine
PubChem CID142228408
Molecular FormulaC26H33F3N4O2
Molecular Weight490.57 g/mol
Exact Mass490.26
IUPAC Name5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine
SMILESCc1cc(C(=O)NCC2CCC(C)CC2)c(C(F)(F)F)o1.Cc1nc(N(C)C)c2ccccc2n1
InChIInChI=1S/C15H20F3NO2.C11H13N3/c1-9-3-5-11(6-4-9)8-19-14(20)12-7-10(2)21-13(12)15(16,17)18;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h7,9,11H,3-6,8H2,1-2H3,(H,19,20);4-7H,1-3H3
InChIKeyKQSNHCHREVXKHS-UHFFFAOYSA-N
XLogP6.17
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine with MolForge

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Related Compounds

2-(2-bromophenyl)-N-[(4-methylcyclohexyl)methyl]acetamide;N,N,2-trimethylquinazolin-4-amine
CID 142230922
[2-[(4-methylcyclohexyl)methylamino]-2-oxo-1-phenylethyl] acetate;N,N,2-trimethylquinazolin-4-amine
CID 142229573
1-methyl-4-propylcyclohexane;N,N,2-trimethylquinazolin-4-amine
CID 142230163
4-acetyl-N-[(4-ethylcyclohexyl)methyl]benzamide;N,N,2-trimethylquinazolin-4-amine
CID 142229164
N-[(4,5-dibromothiophen-2-yl)methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230633
1,4-dimethylcyclohexane;ethylcyclopropane;N,N,2-trimethylquinazolin-4-amine
CID 142230066
4-benzyl-N-[(4-methylcyclohexyl)methyl]morpholine-2-carboxamide;N,N,2-trimethylquinazolin-4-amine
CID 142230377
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 142228779
1,4-dimethylcyclohexane;1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone;N,N,2-trimethylquinazolin-4-amine
CID 142229547
1-cyclohexyl-N-[(4-methylcyclohexyl)methyl]methanamine;phenylmethanol;N,N,2-trimethylquinazolin-4-amine
CID 142229379
N-[[4-(difluoromethyl)phenyl]methyl]-1-(4-methylcyclohexyl)methanamine;N,N,2-trimethylquinazolin-4-amine
CID 142230510
N-(cyclohexylmethyl)-2,5-bis(trifluoromethyl)benzamide;4-N,4-N-dimethylquinazoline-2,4-diamine
CID 142229775

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine?
The IUPAC name of 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine (CID 142228408) is 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine.
What is the SMILES notation for 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine?
The canonical SMILES for 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine is Cc1cc(C(=O)NCC2CCC(C)CC2)c(C(F)(F)F)o1.Cc1nc(N(C)C)c2ccccc2n1.
What is the InChIKey of 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine?
The InChIKey is KQSNHCHREVXKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2.C11H13N3/c1-9-3-5-11(6-4-9)8-19-14(20)12-7-10(2)21-13(12)15(16,17)18;1-8-12-10-7-5-4-6-9(10)11(13-8)14(2)3/h7,9,11H,3-6,8H2,1-2H3,(H,19,20);4-7H,1-3H3.
What are the key properties of 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine?
5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine has a molecular weight of 490.57 g/mol, XLogP of 6.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(4-methylcyclohexyl)methyl]-2-(trifluoromethyl)furan-3-carboxamide;N,N,2-trimethylquinazolin-4-amine is sourced from PubChem (CID 142228408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).