N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide

C15H23NO3 — CID 62526454

IUPACN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2(CO)CCC(C)CC2)c(C)o1
InChIInChI=1S/C15H23NO3/c1-10-4-6-15(9-17,7-5-10)16-14(18)13-8-11(2)19-12(13)3/h8,10,17H,4-7,9H2,1-3H3,(H,16,18)
InChIKeyAERRWLQFBBAEHG-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.57
Rot. Bonds3

About N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide

N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 62526454) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID62526454
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2(CO)CCC(C)CC2)c(C)o1
InChIInChI=1S/C15H23NO3/c1-10-4-6-15(9-17,7-5-10)16-14(18)13-8-11(2)19-12(13)3/h8,10,17H,4-7,9H2,1-3H3,(H,16,18)
InChIKeyAERRWLQFBBAEHG-UHFFFAOYSA-N
XLogP2.57
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 82883323
5-amino-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2-methylbenzamide
CID 62527243
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525620
4-fluoro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 104630770
2-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62526979
2-amino-4,5-difluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527087
N-[4-(chloromethyl)oxan-4-yl]-2,5-dimethylfuran-3-carboxamide
CID 106300278
5-chloro-2-hydroxy-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527703
3-bromo-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 81471727
3-fluoro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]-4-methylbenzamide
CID 62525597
4-chloro-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62527504
3-(dimethylamino)-N-[1-(hydroxymethyl)-4-methylcyclohexyl]benzamide
CID 62525606

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide (CID 62526454) is N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2(CO)CCC(C)CC2)c(C)o1.
What is the InChIKey of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is AERRWLQFBBAEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-4-6-15(9-17,7-5-10)16-14(18)13-8-11(2)19-12(13)3/h8,10,17H,4-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 265.35 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-4-methylcyclohexyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 62526454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).