N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide

C29H30N2O7 — CID 2891320

IUPACN-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc(OCC)c1OCC
InChIInChI=1S/C29H30N2O7/c1-5-35-24-15-19(16-25(36-6-2)27(24)37-7-3)28(32)30-20-12-13-21(23(17-20)34-4)31-29(33)26-14-18-10-8-9-11-22(18)38-26/h8-17H,5-7H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyPSBPLITWFQAGCY-UHFFFAOYSA-N
MW518.57 g/mol
LogP6.14
Rot. Bonds11

About N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide

N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (PubChem CID 2891320) has the molecular formula C29H30N2O7 and a molecular weight of 518.57 g/mol. Its IUPAC name is N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
PubChem CID2891320
Molecular FormulaC29H30N2O7
Molecular Weight518.57 g/mol
Exact Mass518.21
IUPAC NameN-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc(OCC)c1OCC
InChIInChI=1S/C29H30N2O7/c1-5-35-24-15-19(16-25(36-6-2)27(24)37-7-3)28(32)30-20-12-13-21(23(17-20)34-4)31-29(33)26-14-18-10-8-9-11-22(18)38-26/h8-17H,5-7H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyPSBPLITWFQAGCY-UHFFFAOYSA-N
XLogP6.14
TPSA108.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.57
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide (CID 2891320) is N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is CCOc1cc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc(OCC)c1OCC.
What is the InChIKey of N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is PSBPLITWFQAGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O7/c1-5-35-24-15-19(16-25(36-6-2)27(24)37-7-3)28(32)30-20-12-13-21(23(17-20)34-4)31-29(33)26-14-18-10-8-9-11-22(18)38-26/h8-17H,5-7H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide?
N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 518.57 g/mol, XLogP of 6.14, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[(3,4,5-triethoxybenzoyl)amino]phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2891320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).