1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide

C42H33N3O7 — CID 59281713

IUPAC1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide
SMILESCC(=O)c1cccc(C(=O)Nc2cccc(Oc3ccc(NC(=O)c4cc(O)cc(C(=O)Nc5cccc(Oc6ccc(C)cc6)c5)c4)cc3)c2)c1
InChIInChI=1S/C42H33N3O7/c1-26-12-16-36(17-13-26)51-38-10-5-9-34(25-38)45-42(50)31-21-30(22-35(47)23-31)41(49)43-32-14-18-37(19-15-32)52-39-11-4-8-33(24-39)44-40(48)29-7-3-6-28(20-29)27(2)46/h3-25,47H,1-2H3,(H,43,49)(H,44,48)(H,45,50)
InChIKeySWDIJEPLCWXGLZ-UHFFFAOYSA-N
MW691.74 g/mol
LogP9.24
Rot. Bonds11

About 1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide

1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide (PubChem CID 59281713) has the molecular formula C42H33N3O7 and a molecular weight of 691.74 g/mol. Its IUPAC name is 1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide
PubChem CID59281713
Molecular FormulaC42H33N3O7
Molecular Weight691.74 g/mol
Exact Mass691.23
IUPAC Name1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide
SMILESCC(=O)c1cccc(C(=O)Nc2cccc(Oc3ccc(NC(=O)c4cc(O)cc(C(=O)Nc5cccc(Oc6ccc(C)cc6)c5)c4)cc3)c2)c1
InChIInChI=1S/C42H33N3O7/c1-26-12-16-36(17-13-26)51-38-10-5-9-34(25-38)45-42(50)31-21-30(22-35(47)23-31)41(49)43-32-14-18-37(19-15-32)52-39-11-4-8-33(24-39)44-40(48)29-7-3-6-28(20-29)27(2)46/h3-25,47H,1-2H3,(H,43,49)(H,44,48)(H,45,50)
InChIKeySWDIJEPLCWXGLZ-UHFFFAOYSA-N
XLogP9.24
TPSA143.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.74
LogP ≤ 59.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
3-hydroxy-N-(4-methylphenyl)benzamide
CID 10900357
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 7925214
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-(3-acetylphenyl)-4-(4-methoxyphenoxy)benzamide
CID 16651157
3-N-(4-ethoxyphenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056979
1,4-bis(3-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;dimethyl-bis(3-methylphenyl)silane;dimethyl-bis(4-methylphenyl)silane;methane;3-methyl-N-(3-methylphenyl)benzamide;3-methyl-N-(4-methylphenyl)benzamide;4-methyl-N-(3-methylphenyl)benzamide;4-methyl-N-(4-methylphenyl)benzamide
CID 159103853

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide (CID 59281713) is 1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide is CC(=O)c1cccc(C(=O)Nc2cccc(Oc3ccc(NC(=O)c4cc(O)cc(C(=O)Nc5cccc(Oc6ccc(C)cc6)c5)c4)cc3)c2)c1.
What is the InChIKey of 1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide?
The InChIKey is SWDIJEPLCWXGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N3O7/c1-26-12-16-36(17-13-26)51-38-10-5-9-34(25-38)45-42(50)31-21-30(22-35(47)23-31)41(49)43-32-14-18-37(19-15-32)52-39-11-4-8-33(24-39)44-40(48)29-7-3-6-28(20-29)27(2)46/h3-25,47H,1-2H3,(H,43,49)(H,44,48)(H,45,50).
What are the key properties of 1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide?
1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide has a molecular weight of 691.74 g/mol, XLogP of 9.24, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[3-[(3-acetylbenzoyl)amino]phenoxy]phenyl]-5-hydroxy-3-N-[3-(4-methylphenoxy)phenyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 59281713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).