3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide

C59H60N4O7 — CID 91032338

IUPAC3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide
SMILESCNc1cc(NC(=O)c2cc(C)c(-c3cc(C)c(C(C)=O)cc3C)cc2C)cc(C(=O)O)c1.CNc1ccc(Oc2ccc(NC(=O)c3cc(C)c(-c4cc(C)c(C(C)=O)cc4C)cc3C)cc2)cc1
InChIInChI=1S/C32H32N2O3.C27H28N2O4/c1-19-16-29(20(2)15-28(19)23(5)35)30-17-22(4)31(18-21(30)3)32(36)34-25-9-13-27(14-10-25)37-26-11-7-24(33-6)8-12-26;1-14-8-23(15(2)7-22(14)18(5)30)24-9-17(4)25(10-16(24)3)26(31)29-21-12-19(27(32)33)11-20(13-21)28-6/h7-18,33H,1-6H3,(H,34,36);7-13,28H,1-6H3,(H,29,31)(H,32,33)
InChIKeyLNYUINCRBMXJGU-UHFFFAOYSA-N
MW937.15 g/mol
LogP13.66
Rot. Bonds13

About 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide

3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide (PubChem CID 91032338) has the molecular formula C59H60N4O7 and a molecular weight of 937.15 g/mol. Its IUPAC name is 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide.

Molecular Properties

Compound Name3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide
PubChem CID91032338
Molecular FormulaC59H60N4O7
Molecular Weight937.15 g/mol
Exact Mass936.45
IUPAC Name3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide
SMILESCNc1cc(NC(=O)c2cc(C)c(-c3cc(C)c(C(C)=O)cc3C)cc2C)cc(C(=O)O)c1.CNc1ccc(Oc2ccc(NC(=O)c3cc(C)c(-c4cc(C)c(C(C)=O)cc4C)cc3C)cc2)cc1
InChIInChI=1S/C32H32N2O3.C27H28N2O4/c1-19-16-29(20(2)15-28(19)23(5)35)30-17-22(4)31(18-21(30)3)32(36)34-25-9-13-27(14-10-25)37-26-11-7-24(33-6)8-12-26;1-14-8-23(15(2)7-22(14)18(5)30)24-9-17(4)25(10-16(24)3)26(31)29-21-12-19(27(32)33)11-20(13-21)28-6/h7-18,33H,1-6H3,(H,34,36);7-13,28H,1-6H3,(H,29,31)(H,32,33)
InChIKeyLNYUINCRBMXJGU-UHFFFAOYSA-N
XLogP13.66
TPSA162.93 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.15
LogP ≤ 513.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide with MolForge

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Related Compounds

4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
4-(4-acetylphenoxy)-N-[4-[[4-(methylamino)phenyl]methyl]phenyl]benzamide
CID 23531471
5-(3-acetyl-4-formyloxybenzoyl)-2-[[4-[4-(methylamino)phenoxy]phenyl]carbamoyl]benzoic acid
CID 166007053
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
CID 142594961
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
3,5-bis[(4-ethoxybenzoyl)amino]benzoic acid
CID 1369230
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
2-[[4-[4-(disilanylamino)phenoxy]phenyl]carbamoyl]-5-[[4-(4-methylphenoxy)phenyl]carbamoyl]terephthalic acid
CID 137331119
3-[(4-acetylbenzoyl)amino]-5-(methylamino)-N-(2-methylphenyl)benzamide
CID 23531443

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide?
The IUPAC name of 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide (CID 91032338) is 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide.
What is the SMILES notation for 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide?
The canonical SMILES for 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide is CNc1cc(NC(=O)c2cc(C)c(-c3cc(C)c(C(C)=O)cc3C)cc2C)cc(C(=O)O)c1.CNc1ccc(Oc2ccc(NC(=O)c3cc(C)c(-c4cc(C)c(C(C)=O)cc4C)cc3C)cc2)cc1.
What is the InChIKey of 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide?
The InChIKey is LNYUINCRBMXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O3.C27H28N2O4/c1-19-16-29(20(2)15-28(19)23(5)35)30-17-22(4)31(18-21(30)3)32(36)34-25-9-13-27(14-10-25)37-26-11-7-24(33-6)8-12-26;1-14-8-23(15(2)7-22(14)18(5)30)24-9-17(4)25(10-16(24)3)26(31)29-21-12-19(27(32)33)11-20(13-21)28-6/h7-18,33H,1-6H3,(H,34,36);7-13,28H,1-6H3,(H,29,31)(H,32,33).
What are the key properties of 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide?
3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide has a molecular weight of 937.15 g/mol, XLogP of 13.66, 13 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethylbenzoyl]amino]-5-(methylamino)benzoic acid;4-(4-acetyl-2,5-dimethylphenyl)-2,5-dimethyl-N-[4-[4-(methylamino)phenoxy]phenyl]benzamide is sourced from PubChem (CID 91032338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).