N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide

C22H22N2O4 — CID 46529748

IUPACN-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2occc2COc2ccccc2)cc1
InChIInChI=1S/C22H22N2O4/c1-24(2)22(26)17-10-8-16(9-11-17)14-23-21(25)20-18(12-13-27-20)15-28-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyFPFISHFOEMCVDS-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.49
Rot. Bonds7

About N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 46529748) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID46529748
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2occc2COc2ccccc2)cc1
InChIInChI=1S/C22H22N2O4/c1-24(2)22(26)17-10-8-16(9-11-17)14-23-21(25)20-18(12-13-27-20)15-28-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3,(H,23,25)
InChIKeyFPFISHFOEMCVDS-UHFFFAOYSA-N
XLogP3.49
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46697697
N-[[3-(methoxymethyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 46487559
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55743245
N-[(2-chlorophenyl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 26014402
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 56555280
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
3-(phenoxymethyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 30138155
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474
3-(phenoxymethyl)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]furan-2-carboxamide
CID 30832733
N-[(1,5-dimethylpyrrol-2-yl)methyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 29434158
N-[2-(methylamino)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 120832904

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide (CID 46529748) is N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide is CN(C)C(=O)c1ccc(CNC(=O)c2occc2COc2ccccc2)cc1.
What is the InChIKey of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is FPFISHFOEMCVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-24(2)22(26)17-10-8-16(9-11-17)14-23-21(25)20-18(12-13-27-20)15-28-19-6-4-3-5-7-19/h3-13H,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide?
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylcarbamoyl)phenyl]methyl]-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 46529748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).