5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid

C19H21NO5 — CID 22683768

IUPAC5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
SMILESO=C(NC1CCCCC1)c1ccc(OCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C19H21NO5/c21-18(20-14-4-2-1-3-5-14)13-6-8-15(9-7-13)24-12-16-10-11-17(25-16)19(22)23/h6-11,14H,1-5,12H2,(H,20,21)(H,22,23)
InChIKeyIHCDFCXRWIZGIO-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.62
Rot. Bonds6

About 5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid

5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid (PubChem CID 22683768) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
PubChem CID22683768
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
SMILESO=C(NC1CCCCC1)c1ccc(OCc2ccc(C(=O)O)o2)cc1
InChIInChI=1S/C19H21NO5/c21-18(20-14-4-2-1-3-5-14)13-6-8-15(9-7-13)24-12-16-10-11-17(25-16)19(22)23/h6-11,14H,1-5,12H2,(H,20,21)(H,22,23)
InChIKeyIHCDFCXRWIZGIO-UHFFFAOYSA-N
XLogP3.62
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 998142
N-[4-(cyclopropylcarbamoyl)phenyl]-5-(phenoxymethyl)furan-2-carboxamide
CID 46584687
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
2-[4-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]phenyl]acetic acid
CID 22687432
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
N-cyclohexyl-4-[[5-(dimethylsulfamoyl)furan-2-yl]methoxy]benzamide
CID 45494835
5-[[4-(2-cyclohexylpropan-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 10382765
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
4-[(4-chlorophenoxy)methyl]-N-cyclopentylbenzamide
CID 9214566

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid (CID 22683768) is 5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid is O=C(NC1CCCCC1)c1ccc(OCc2ccc(C(=O)O)o2)cc1.
What is the InChIKey of 5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid?
The InChIKey is IHCDFCXRWIZGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c21-18(20-14-4-2-1-3-5-14)13-6-8-15(9-7-13)24-12-16-10-11-17(25-16)19(22)23/h6-11,14H,1-5,12H2,(H,20,21)(H,22,23).
What are the key properties of 5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid?
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 22683768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).