N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide

C22H23NO5 — CID 2883561

IUPACN-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H23NO5/c1-4-27-17-10-7-15(8-11-17)21(23-22(24)19-6-5-13-28-19)16-9-12-18(25-2)20(14-16)26-3/h5-14,21H,4H2,1-3H3,(H,23,24)
InChIKeyBAMHYGPGUSASCF-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.21
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide

N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 2883561) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID2883561
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC NameN-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C22H23NO5/c1-4-27-17-10-7-15(8-11-17)21(23-22(24)19-6-5-13-28-19)16-9-12-18(25-2)20(14-16)26-3/h5-14,21H,4H2,1-3H3,(H,23,24)
InChIKeyBAMHYGPGUSASCF-UHFFFAOYSA-N
XLogP4.21
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide (CID 2883561) is N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide is CCOc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is BAMHYGPGUSASCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-4-27-17-10-7-15(8-11-17)21(23-22(24)19-6-5-13-28-19)16-9-12-18(25-2)20(14-16)26-3/h5-14,21H,4H2,1-3H3,(H,23,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide?
N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 2883561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).