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

C24H26N2O6 — CID 1112721

IUPACN-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C24H26N2O6/c1-4-29-20-14-16(15-21(30-5-2)22(20)31-6-3)23(27)25-17-9-11-18(12-10-17)26-24(28)19-8-7-13-32-19/h7-15H,4-6H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyBXDPFYUUWAHNAS-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.98
Rot. Bonds10

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

N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide (PubChem CID 1112721) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
PubChem CID1112721
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC NameN-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc(OCC)c1OCC
InChIInChI=1S/C24H26N2O6/c1-4-29-20-14-16(15-21(30-5-2)22(20)31-6-3)23(27)25-17-9-11-18(12-10-17)26-24(28)19-8-7-13-32-19/h7-15H,4-6H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyBXDPFYUUWAHNAS-UHFFFAOYSA-N
XLogP4.98
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 2913347
N-[2-[[4-[(3,4-diethoxybenzoyl)amino]benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062797
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
3,4,5-triethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzamide
CID 7375733
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-[2,5-diethoxy-4-[(4-fluorobenzoyl)amino]phenyl]furan-2-carboxamide
CID 1176514
N-[4-[(3,5-dichloro-4-methoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1321810
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
N-[4-[[(2-ethoxybenzoyl)amino]methyl]phenyl]furan-2-carboxamide
CID 42017998

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide (CID 1112721) is N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide is CCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc(OCC)c1OCC.
What is the InChIKey of N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
The InChIKey is BXDPFYUUWAHNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-4-29-20-14-16(15-21(30-5-2)22(20)31-6-3)23(27)25-17-9-11-18(12-10-17)26-24(28)19-8-7-13-32-19/h7-15H,4-6H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide?
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide has a molecular weight of 438.48 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide is sourced from PubChem (CID 1112721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).