2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide

C20H19NO3 — CID 1247120

IUPAC2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)o1
InChIInChI=1S/C20H19NO3/c1-14-12-19(15(2)24-14)20(22)21-17-8-10-18(11-9-17)23-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyFRBCYQKWQNGRMM-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.73
Rot. Bonds5

About 2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide

2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide (PubChem CID 1247120) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
PubChem CID1247120
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)o1
InChIInChI=1S/C20H19NO3/c1-14-12-19(15(2)24-14)20(22)21-17-8-10-18(11-9-17)23-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22)
InChIKeyFRBCYQKWQNGRMM-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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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide (CID 1247120) is 2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide is Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide?
The InChIKey is FRBCYQKWQNGRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-14-12-19(15(2)24-14)20(22)21-17-8-10-18(11-9-17)23-13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,21,22).
What are the key properties of 2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide?
2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-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 2,5-dimethyl-N-(4-phenylmethoxyphenyl)furan-3-carboxamide is sourced from PubChem (CID 1247120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).