N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

C25H26N2O4 — CID 2908045

IUPACN-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C25H26N2O4/c28-24(17-31-22-13-11-19(12-14-22)18-6-2-1-3-7-18)26-20-8-4-9-21(16-20)27-25(29)23-10-5-15-30-23/h4-5,8-16,18H,1-3,6-7,17H2,(H,26,28)(H,27,29)
InChIKeyWBBIFGWHODKVCL-UHFFFAOYSA-N
MW418.49 g/mol
LogP5.60
Rot. Bonds7

About N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide

N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (PubChem CID 2908045) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
PubChem CID2908045
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide
SMILESO=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(NC(=O)c2ccco2)c1
InChIInChI=1S/C25H26N2O4/c28-24(17-31-22-13-11-19(12-14-22)18-6-2-1-3-7-18)26-20-8-4-9-21(16-20)27-25(29)23-10-5-15-30-23/h4-5,8-16,18H,1-3,6-7,17H2,(H,26,28)(H,27,29)
InChIKeyWBBIFGWHODKVCL-UHFFFAOYSA-N
XLogP5.60
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.49
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]benzamide
CID 4034041
N-[3-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]furan-2-carboxamide
CID 1491636
N-[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 37026412
N-[3-[2-[4-(cyclopentylcarbamoyl)anilino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55959108
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
N-[3-[2-[(4-aminocyclohexyl)amino]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 119477145
N-[3-[[2-[4-(2-methylprop-2-enoxy)anilino]acetyl]amino]phenyl]furan-2-carboxamide
CID 54824284
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
N-[4-[[2-[4-(trifluoromethyl)phenoxy]acetyl]amino]phenyl]furan-2-carboxamide
CID 55776313
N-[4-[[2-(4-cyclohexylphenoxy)acetyl]amino]-2-methylphenyl]-1-benzofuran-2-carboxamide
CID 17117640
N-[3-[[2-(2,5-dichlorophenoxy)acetyl]amino]phenyl]furan-2-carboxamide
CID 24647647
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide (CID 2908045) is N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(NC(=O)c2ccco2)c1.
What is the InChIKey of N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
The InChIKey is WBBIFGWHODKVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c28-24(17-31-22-13-11-19(12-14-22)18-6-2-1-3-7-18)26-20-8-4-9-21(16-20)27-25(29)23-10-5-15-30-23/h4-5,8-16,18H,1-3,6-7,17H2,(H,26,28)(H,27,29).
What are the key properties of N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide?
N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-cyclohexylphenoxy)acetyl]amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 2908045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).