2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid

C23H28N2O6 — CID 23798884

IUPAC2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NC(CC(C)C)C(=O)O)cc2C)cc1OC
InChIInChI=1S/C23H28N2O6/c1-13(2)10-18(23(28)29)25-21(26)15-6-8-17(14(3)11-15)24-22(27)16-7-9-19(30-4)20(12-16)31-5/h6-9,11-13,18H,10H2,1-5H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyJUVZGWLKCXLMSB-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.49
Rot. Bonds9

About 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid

2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid (PubChem CID 23798884) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid
PubChem CID23798884
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NC(CC(C)C)C(=O)O)cc2C)cc1OC
InChIInChI=1S/C23H28N2O6/c1-13(2)10-18(23(28)29)25-21(26)15-6-8-17(14(3)11-15)24-22(27)16-7-9-19(30-4)20(12-16)31-5/h6-9,11-13,18H,10H2,1-5H3,(H,24,27)(H,25,26)(H,28,29)
InChIKeyJUVZGWLKCXLMSB-UHFFFAOYSA-N
XLogP3.49
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

(2R)-2-[(3-bromo-4-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 78975418
(2R)-2-[(3,4-diethoxybenzoyl)amino]-4-methylpentanoic acid
CID 119364336
2-[(4-hydroxy-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 107674632
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
(2S)-2-[(3,4-dimethoxybenzoyl)amino]-4-hydroxybutanoic acid
CID 107822287
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
CID 55945160
(2R)-2-[[3-(dimethylsulfamoyl)-4-methoxybenzoyl]amino]-4-methylpentanoic acid
CID 119364324
N-(4-bromo-2-methylphenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770873
methyl (2R)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798268
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267
N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
N-(1-bromo-4-methylpentan-2-yl)-3,4-dimethoxybenzamide
CID 114311669

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid (CID 23798884) is 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid is COc1ccc(C(=O)Nc2ccc(C(=O)NC(CC(C)C)C(=O)O)cc2C)cc1OC.
What is the InChIKey of 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid?
The InChIKey is JUVZGWLKCXLMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-13(2)10-18(23(28)29)25-21(26)15-6-8-17(14(3)11-15)24-22(27)16-7-9-19(30-4)20(12-16)31-5/h6-9,11-13,18H,10H2,1-5H3,(H,24,27)(H,25,26)(H,28,29).
What are the key properties of 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid?
2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid has a molecular weight of 428.49 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3,4-dimethoxybenzoyl)amino]-3-methylbenzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 23798884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).