N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide

C25H28N2O8 — CID 651638

IUPACN-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H28N2O8/c1-6-33-19-14-17(27-25(29)18-9-8-10-35-18)20(34-7-2)13-16(19)26-24(28)15-11-21(30-3)23(32-5)22(12-15)31-4/h8-14H,6-7H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyMRGSFNBCDBQOIV-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.61
Rot. Bonds11

About N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide

N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 651638) has the molecular formula C25H28N2O8 and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID651638
Molecular FormulaC25H28N2O8
Molecular Weight484.51 g/mol
Exact Mass484.18
IUPAC NameN-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C25H28N2O8/c1-6-33-19-14-17(27-25(29)18-9-8-10-35-18)20(34-7-2)13-16(19)26-24(28)15-11-21(30-3)23(32-5)22(12-15)31-4/h8-14H,6-7H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyMRGSFNBCDBQOIV-UHFFFAOYSA-N
XLogP4.61
TPSA117.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide (CID 651638) is N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide is CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is MRGSFNBCDBQOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O8/c1-6-33-19-14-17(27-25(29)18-9-8-10-35-18)20(34-7-2)13-16(19)26-24(28)15-11-21(30-3)23(32-5)22(12-15)31-4/h8-14H,6-7H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 484.51 g/mol, XLogP of 4.61, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[(3,4,5-trimethoxybenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 651638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).