N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide

C20H19NO3 — CID 17454230

IUPACN-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2occc2COc2ccccc2)c(C)c1
InChIInChI=1S/C20H19NO3/c1-14-8-9-18(15(2)12-14)21-20(22)19-16(10-11-23-19)13-24-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyCYVAVIWPVBCDOM-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.73
Rot. Bonds5

About N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide

N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide (PubChem CID 17454230) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
PubChem CID17454230
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2occc2COc2ccccc2)c(C)c1
InChIInChI=1S/C20H19NO3/c1-14-8-9-18(15(2)12-14)21-20(22)19-16(10-11-23-19)13-24-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyCYVAVIWPVBCDOM-UHFFFAOYSA-N
XLogP4.73
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-difluorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17493088
ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate
CID 87043175
N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 42931673
N-(2,5-dichlorophenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25400603
N-(5-methyl-1,3-thiazol-2-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17457516
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
CID 34202497
2,5-dimethyl-N'-[3-(phenoxymethyl)furan-2-carbonyl]furan-3-carbohydrazide
CID 51311556
N-[2-(methylamino)ethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 119503301
N-(2-methoxyethyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 51304876
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55856148
3-(phenoxymethyl)-N-(1,3,4-thiadiazol-2-yl)furan-2-carboxamide
CID 29370752

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide (CID 17454230) is N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide is Cc1ccc(NC(=O)c2occc2COc2ccccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide?
The InChIKey is CYVAVIWPVBCDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-8-9-18(15(2)12-14)21-20(22)19-16(10-11-23-19)13-24-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide?
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 17454230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).