4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide

C56H57N7O11 — CID 144807598

IUPAC4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide
SMILESCCNC=O.COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(-n3c(C)nnc3-c3cc(C(C)C)c(O)cc3O)cc2)cc1
InChIInChI=1S/C53H50N6O10.C3H7NO/c1-30(2)39-27-40(45(61)28-44(39)60)51-58-57-31(3)59(51)36-16-20-38(21-17-36)68-37-18-13-33(14-19-37)52(62)56-43(23-32-11-9-8-10-12-32)53(63)55-42-24-34(15-22-46(42)64-4)41-29-54-69-49(41)35-25-47(65-5)50(67-7)48(26-35)66-6;1-2-4-3-5/h8-22,24-30,43,60-61H,23H2,1-7H3,(H,55,63)(H,56,62);3H,2H2,1H3,(H,4,5)
InChIKeyHNLHDAVIEYIANO-UHFFFAOYSA-N
MW1004.11 g/mol
LogP9.66
Rot. Bonds19

About 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide

4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide (PubChem CID 144807598) has the molecular formula C56H57N7O11 and a molecular weight of 1004.11 g/mol. Its IUPAC name is 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide.

Molecular Properties

Compound Name4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide
PubChem CID144807598
Molecular FormulaC56H57N7O11
Molecular Weight1004.11 g/mol
Exact Mass1003.41
IUPAC Name4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide
SMILESCCNC=O.COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(-n3c(C)nnc3-c3cc(C(C)C)c(O)cc3O)cc2)cc1
InChIInChI=1S/C53H50N6O10.C3H7NO/c1-30(2)39-27-40(45(61)28-44(39)60)51-58-57-31(3)59(51)36-16-20-38(21-17-36)68-37-18-13-33(14-19-37)52(62)56-43(23-32-11-9-8-10-12-32)53(63)55-42-24-34(15-22-46(42)64-4)41-29-54-69-49(41)35-25-47(65-5)50(67-7)48(26-35)66-6;1-2-4-3-5/h8-22,24-30,43,60-61H,23H2,1-7H3,(H,55,63)(H,56,62);3H,2H2,1H3,(H,4,5)
InChIKeyHNLHDAVIEYIANO-UHFFFAOYSA-N
XLogP9.66
TPSA230.65 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001004.11
LogP ≤ 59.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide?
The IUPAC name of 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide (CID 144807598) is 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide.
What is the SMILES notation for 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide?
The canonical SMILES for 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide is CCNC=O.COc1ccc(-c2cnoc2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(-n3c(C)nnc3-c3cc(C(C)C)c(O)cc3O)cc2)cc1.
What is the InChIKey of 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide?
The InChIKey is HNLHDAVIEYIANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50N6O10.C3H7NO/c1-30(2)39-27-40(45(61)28-44(39)60)51-58-57-31(3)59(51)36-16-20-38(21-17-36)68-37-18-13-33(14-19-37)52(62)56-43(23-32-11-9-8-10-12-32)53(63)55-42-24-34(15-22-46(42)64-4)41-29-54-69-49(41)35-25-47(65-5)50(67-7)48(26-35)66-6;1-2-4-3-5/h8-22,24-30,43,60-61H,23H2,1-7H3,(H,55,63)(H,56,62);3H,2H2,1H3,(H,4,5).
What are the key properties of 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide?
4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide has a molecular weight of 1004.11 g/mol, XLogP of 9.66, 19 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(2,4-dihydroxy-5-propan-2-ylphenyl)-5-methyl-1,2,4-triazol-4-yl]phenoxy]-N-[1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxo-3-phenylpropan-2-yl]benzamide;N-ethylformamide is sourced from PubChem (CID 144807598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).