N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide

C24H25NO6 — CID 24636994

IUPACN-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)c3ccc(OC)c(OC)c3OC)cc2)cc1
InChIInChI=1S/C24H25NO6/c1-5-30-17-10-12-19(13-11-17)31-18-8-6-16(7-9-18)25-24(26)20-14-15-21(27-2)23(29-4)22(20)28-3/h6-15H,5H2,1-4H3,(H,25,26)
InChIKeyMZVSEBBROCMALJ-UHFFFAOYSA-N
MW423.47 g/mol
LogP5.16
Rot. Bonds9

About N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide

N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide (PubChem CID 24636994) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
PubChem CID24636994
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC NameN-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide
SMILESCCOc1ccc(Oc2ccc(NC(=O)c3ccc(OC)c(OC)c3OC)cc2)cc1
InChIInChI=1S/C24H25NO6/c1-5-30-17-10-12-19(13-11-17)31-18-8-6-16(7-9-18)25-24(26)20-14-15-21(27-2)23(29-4)22(20)28-3/h6-15H,5H2,1-4H3,(H,25,26)
InChIKeyMZVSEBBROCMALJ-UHFFFAOYSA-N
XLogP5.16
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
N-(4-ethoxyphenyl)-2,4-dimethoxybenzamide
CID 669318
N-(4-ethoxyphenyl)-2-methoxy-3-methylbenzamide
CID 883648
2,3-dimethoxy-N-(4-phenoxyphenyl)benzamide
CID 912370
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
2,3,4-trimethoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 7768109
N-(4-butylphenyl)-2,3,4-trimethoxybenzamide
CID 9442096
2,3-dimethoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474623
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
N-(4-ethoxyphenyl)-2-fluoro-4-methoxybenzamide
CID 27843918
N-(4-ethoxyphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 7779984

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide (CID 24636994) is N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide is CCOc1ccc(Oc2ccc(NC(=O)c3ccc(OC)c(OC)c3OC)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide?
The InChIKey is MZVSEBBROCMALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-5-30-17-10-12-19(13-11-17)31-18-8-6-16(7-9-18)25-24(26)20-14-15-21(27-2)23(29-4)22(20)28-3/h6-15H,5H2,1-4H3,(H,25,26).
What are the key properties of N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide?
N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide has a molecular weight of 423.47 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenoxy)phenyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 24636994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).