N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide

C16H24N2O3 — CID 125142514

IUPACN-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1
InChIInChI=1S/C16H24N2O3/c1-10-9-21-11(2)14(10)15(19)17-13-7-5-6-12(8-13)16(20)18(3)4/h9,12-13H,5-8H2,1-4H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyXNJZGIAPUCNQBB-OLZOCXBDSA-N
MW292.38 g/mol
LogP2.27
Rot. Bonds3

About N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide

N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide (PubChem CID 125142514) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide
PubChem CID125142514
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide
SMILESCc1coc(C)c1C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1
InChIInChI=1S/C16H24N2O3/c1-10-9-21-11(2)14(10)15(19)17-13-7-5-6-12(8-13)16(20)18(3)4/h9,12-13H,5-8H2,1-4H3,(H,17,19)/t12-,13+/m1/s1
InChIKeyXNJZGIAPUCNQBB-OLZOCXBDSA-N
XLogP2.27
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044187
5-(cyclopropylmethoxy)-N-[(1R,3S)-3-(dimethylcarbamoyl)cyclohexyl]pyrazine-2-carboxamide
CID 125142371
methyl 2,4-dimethylfuran-3-carboxylate
CID 13102221
3-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63043268
3-[(2,5-dimethylthiophene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147878
N,N-dimethyl-3-[[N'-methyl-N-[2-(oxan-4-yl)ethyl]carbamimidoyl]amino]cyclohexane-1-carboxamide;hydroiodide
CID 119154107
1-N,2-N,3-N-tris(3-methylcyclohexyl)benzene-1,2,3-tricarboxamide
CID 141437065
3-[[N-[2-(methanesulfonamido)ethyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylcyclohexane-1-carboxamide
CID 119154112
5-[[[N-[3-(dimethylcarbamoyl)cyclohexyl]-N'-methylcarbamimidoyl]amino]methyl]furan-2-carboxamide
CID 119162412
3-[(3-fluoro-5-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 115923955
(1S,3S,4S)-3-amino-4-hydroxy-N,N-dimethylcyclohexane-1-carboxamide
CID 170648409
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-3,5-dimethylbenzamide
CID 97068063

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide (CID 125142514) is N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide is Cc1coc(C)c1C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1.
What is the InChIKey of N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide?
The InChIKey is XNJZGIAPUCNQBB-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10-9-21-11(2)14(10)15(19)17-13-7-5-6-12(8-13)16(20)18(3)4/h9,12-13H,5-8H2,1-4H3,(H,17,19)/t12-,13+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide?
N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3R)-3-(dimethylcarbamoyl)cyclohexyl]-2,4-dimethylfuran-3-carboxamide is sourced from PubChem (CID 125142514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).