N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide

C24H21NO4 — CID 7925267

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)c3oc4ccccc4c3C)cc2)cc1
InChIInChI=1S/C24H21NO4/c1-3-27-18-12-14-20(15-13-18)28-19-10-8-17(9-11-19)25-24(26)23-16(2)21-6-4-5-7-22(21)29-23/h4-15H,3H2,1-2H3,(H,25,26)
InChIKeyQNLXTMWLUAUBCQ-UHFFFAOYSA-N
MW387.44 g/mol
LogP6.18
Rot. Bonds6

About N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide

N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 7925267) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID7925267
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)c3oc4ccccc4c3C)cc2)cc1
InChIInChI=1S/C24H21NO4/c1-3-27-18-12-14-20(15-13-18)28-19-10-8-17(9-11-19)25-24(26)23-16(2)21-6-4-5-7-22(21)29-23/h4-15H,3H2,1-2H3,(H,25,26)
InChIKeyQNLXTMWLUAUBCQ-UHFFFAOYSA-N
XLogP6.18
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(4-ethoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 3601277
3-benzamido-N-(4-ethoxyphenyl)-1-benzofuran-2-carboxamide
CID 20875337
3-[(4-ethoxybenzoyl)amino]-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 20875380
N-[4-[2-[amino(hydroxy)methyl]phenoxy]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 166155571
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
N-(4-ethoxyphenyl)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875357
N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
ethyl 2-[3-chloro-4-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70985006
N-[4-[(2S)-butan-2-yl]phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 788573
2-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetic acid
CID 108793560
N-(4-ethoxyphenyl)dibenzofuran-2-carboxamide
CID 18876152

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide (CID 7925267) is N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc(Oc2ccc(NC(=O)c3oc4ccccc4c3C)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QNLXTMWLUAUBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4/c1-3-27-18-12-14-20(15-13-18)28-19-10-8-17(9-11-19)25-24(26)23-16(2)21-6-4-5-7-22(21)29-23/h4-15H,3H2,1-2H3,(H,25,26).
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 7925267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).