N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide

C19H23NO4 — CID 111428790

IUPACN-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC3CCCCC3O)cc2)c(C)o1
InChIInChI=1S/C19H23NO4/c1-12-11-16(13(2)23-12)19(22)20-14-7-9-15(10-8-14)24-18-6-4-3-5-17(18)21/h7-11,17-18,21H,3-6H2,1-2H3,(H,20,22)
InChIKeySDMKGAJSDPBPEV-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.83
Rot. Bonds4

About N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 111428790) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID111428790
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OC3CCCCC3O)cc2)c(C)o1
InChIInChI=1S/C19H23NO4/c1-12-11-16(13(2)23-12)19(22)20-14-7-9-15(10-8-14)24-18-6-4-3-5-17(18)21/h7-11,17-18,21H,3-6H2,1-2H3,(H,20,22)
InChIKeySDMKGAJSDPBPEV-UHFFFAOYSA-N
XLogP3.83
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylbenzamide
CID 111428764
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 111428793
2-cyano-N-[4-(2-hydroxycyclohexyl)oxyphenyl]benzamide
CID 111825146
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpropanamide
CID 119329332
6-(furan-2-yl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-methylpyridine-3-carboxamide
CID 102557570
2-(cyclopropylmethylamino)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]acetamide;hydrochloride
CID 119793780
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]propanamide
CID 119329344
2-amino-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2-(oxan-4-yl)acetamide
CID 120794064
[4-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl] thiocyanate
CID 16648737
1-cyclopropyl-N-[4-(2-hydroxycyclohexyl)oxyphenyl]pyrrole-2-carboxamide
CID 110007275
(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide
CID 95772065

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide (CID 111428790) is N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OC3CCCCC3O)cc2)c(C)o1.
What is the InChIKey of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is SDMKGAJSDPBPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12-11-16(13(2)23-12)19(22)20-14-7-9-15(10-8-14)24-18-6-4-3-5-17(18)21/h7-11,17-18,21H,3-6H2,1-2H3,(H,20,22).
What are the key properties of N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide?
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxycyclohexyl)oxyphenyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 111428790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).