N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide

C30H28N2O4 — CID 22011026

IUPACN-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(C)cc2O)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C30H28N2O4/c1-19-9-12-21(13-10-19)23-7-5-6-8-24(23)29(34)31-25-15-14-22(18-28(25)36-4)30(35)32(3)26-16-11-20(2)17-27(26)33/h5-18,33H,1-4H3,(H,31,34)
InChIKeyBTPMNWLYGPPSTG-UHFFFAOYSA-N
MW480.56 g/mol
LogP6.21
Rot. Bonds6

About N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide

N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide (PubChem CID 22011026) has the molecular formula C30H28N2O4 and a molecular weight of 480.56 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
PubChem CID22011026
Molecular FormulaC30H28N2O4
Molecular Weight480.56 g/mol
Exact Mass480.20
IUPAC NameN-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
SMILESCOc1cc(C(=O)N(C)c2ccc(C)cc2O)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1
InChIInChI=1S/C30H28N2O4/c1-19-9-12-21(13-10-19)23-7-5-6-8-24(23)29(34)31-25-15-14-22(18-28(25)36-4)30(35)32(3)26-16-11-20(2)17-27(26)33/h5-18,33H,1-4H3,(H,31,34)
InChIKeyBTPMNWLYGPPSTG-UHFFFAOYSA-N
XLogP6.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-phenylmethoxyphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22010907
6-[2-[[4-[[2-(4-aminophenyl)benzoyl]amino]-3-methoxybenzoyl]-methylamino]-5-methylphenoxy]hexanoic acid
CID 22010617
ethyl 6-[2-[[3-methoxy-4-[(2-phenylbenzoyl)amino]benzoyl]-methylamino]-5-methylphenoxy]hexanoate
CID 22010990
N-[4-[(2-hydroxy-5-methylphenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22010705
N-[2-[[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]methoxy]-4-methylphenyl]-4-[(2-hydroxybenzoyl)amino]-3-methoxy-N-methylbenzamide
CID 18791450
3-chloro-N-(4-chloro-2-phenylmethoxyphenyl)-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide
CID 22010726
4-amino-N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methylbenzamide
CID 22010568
4-[[2-(3-aminopropoxy)benzoyl]amino]-N-[2-[4-(dimethylcarbamoylamino)butoxy]-4-methylphenyl]-3-methoxy-N-methylbenzamide
CID 70058200
N-[4-[[2-[4-(1,3-dioxoisoindol-2-yl)butoxy]-4-methylphenyl]-methylcarbamoyl]-2-methoxyphenyl]-2-methyl-1H-benzimidazole-4-carboxamide
CID 18354873
N-[4-[(4-chlorophenyl)-methylcarbamoyl]phenyl]-2-(4-methylphenyl)benzamide
CID 22010622
N-[2-[(2-hydroxyphenyl)-methylcarbamoyl]phenyl]-5-methyl-2-phenylbenzamide
CID 67698934
2-methoxy-N-[2-methoxy-4-[3-methoxy-4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 1119717

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide (CID 22011026) is N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide is COc1cc(C(=O)N(C)c2ccc(C)cc2O)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
The InChIKey is BTPMNWLYGPPSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O4/c1-19-9-12-21(13-10-19)23-7-5-6-8-24(23)29(34)31-25-15-14-22(18-28(25)36-4)30(35)32(3)26-16-11-20(2)17-27(26)33/h5-18,33H,1-4H3,(H,31,34).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide?
N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide has a molecular weight of 480.56 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-3-methoxy-N-methyl-4-[[2-(4-methylphenyl)benzoyl]amino]benzamide is sourced from PubChem (CID 22011026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).