methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate

C26H35NO5 — CID 17024109

IUPACmethyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)NC3CCCCCCCCCCC3)o2)cc1
InChIInChI=1S/C26H35NO5/c1-30-26(29)20-13-15-22(16-14-20)31-19-23-17-18-24(32-23)25(28)27-21-11-9-7-5-3-2-4-6-8-10-12-21/h13-18,21H,2-12,19H2,1H3,(H,27,28)
InChIKeyOXHPHGBSNUJFLD-UHFFFAOYSA-N
MW441.57 g/mol
LogP6.05
Rot. Bonds6

About methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate

methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate (PubChem CID 17024109) has the molecular formula C26H35NO5 and a molecular weight of 441.57 g/mol. Its IUPAC name is methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
PubChem CID17024109
Molecular FormulaC26H35NO5
Molecular Weight441.57 g/mol
Exact Mass441.25
IUPAC Namemethyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)NC3CCCCCCCCCCC3)o2)cc1
InChIInChI=1S/C26H35NO5/c1-30-26(29)20-13-15-22(16-14-20)31-19-23-17-18-24(32-23)25(28)27-21-11-9-7-5-3-2-4-6-8-10-12-21/h13-18,21H,2-12,19H2,1H3,(H,27,28)
InChIKeyOXHPHGBSNUJFLD-UHFFFAOYSA-N
XLogP6.05
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

5-[(4-acetylphenoxy)methyl]-N-cyclopentylfuran-2-carboxamide
CID 19455175
N-cyclohexyl-5-(phenoxymethyl)furan-2-carboxamide
CID 24980847
5-[(4-tert-butylphenoxy)methyl]-N-cyclohexylfuran-2-carboxamide
CID 998142
N-cycloheptyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 1011914
5-[[4-(cyclohexylcarbamoyl)phenoxy]methyl]furan-2-carboxylic acid
CID 22683768
N-cyclooctyl-5-(methoxymethyl)furan-2-carboxamide
CID 86912047
N-cycloheptyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461005
N-cyclopropyl-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19446522
N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458831
5-[(4-acetylphenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)furan-2-carboxamide
CID 19455341
N-cyclopropyl-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455418
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate (CID 17024109) is methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2ccc(C(=O)NC3CCCCCCCCCCC3)o2)cc1.
What is the InChIKey of methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate?
The InChIKey is OXHPHGBSNUJFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35NO5/c1-30-26(29)20-13-15-22(16-14-20)31-19-23-17-18-24(32-23)25(28)27-21-11-9-7-5-3-2-4-6-8-10-12-21/h13-18,21H,2-12,19H2,1H3,(H,27,28).
What are the key properties of methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate?
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate has a molecular weight of 441.57 g/mol, XLogP of 6.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate is sourced from PubChem (CID 17024109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).