N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide

C25H28N2O7 — CID 653462

IUPACN-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H28N2O7/c1-5-32-21-15-18(27-25(29)20-8-7-11-34-20)22(33-6-2)14-17(21)26-24(28)13-16-9-10-19(30-3)23(12-16)31-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyMIHLSTPIGYQCPU-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.53
Rot. Bonds11

About N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide

N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide (PubChem CID 653462) has the molecular formula C25H28N2O7 and a molecular weight of 468.51 g/mol. Its IUPAC name is N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide
PubChem CID653462
Molecular FormulaC25H28N2O7
Molecular Weight468.51 g/mol
Exact Mass468.19
IUPAC NameN-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C25H28N2O7/c1-5-32-21-15-18(27-25(29)20-8-7-11-34-20)22(33-6-2)14-17(21)26-24(28)13-16-9-10-19(30-3)23(12-16)31-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29)
InChIKeyMIHLSTPIGYQCPU-UHFFFAOYSA-N
XLogP4.53
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide (CID 653462) is N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide is CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide?
The InChIKey is MIHLSTPIGYQCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O7/c1-5-32-21-15-18(27-25(29)20-8-7-11-34-20)22(33-6-2)14-17(21)26-24(28)13-16-9-10-19(30-3)23(12-16)31-4/h7-12,14-15H,5-6,13H2,1-4H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide?
N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide has a molecular weight of 468.51 g/mol, XLogP of 4.53, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-2,5-diethoxyphenyl]furan-2-carboxamide is sourced from PubChem (CID 653462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).