4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

C22H33NO4 — CID 54373494

IUPAC4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)cc(C)c1CC(=O)NC1(C(=O)O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C22H33NO4/c1-14-11-15(2)17(18(12-14)27-6)13-19(24)23-22(20(25)26)9-7-16(8-10-22)21(3,4)5/h11-12,16H,7-10,13H2,1-6H3,(H,23,24)(H,25,26)
InChIKeyUUWAMQFACSXAHX-UHFFFAOYSA-N
MW375.51 g/mol
LogP4.03
Rot. Bonds5

About 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid

4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 54373494) has the molecular formula C22H33NO4 and a molecular weight of 375.51 g/mol. Its IUPAC name is 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID54373494
Molecular FormulaC22H33NO4
Molecular Weight375.51 g/mol
Exact Mass375.24
IUPAC Name4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)cc(C)c1CC(=O)NC1(C(=O)O)CCC(C(C)(C)C)CC1
InChIInChI=1S/C22H33NO4/c1-14-11-15(2)17(18(12-14)27-6)13-19(24)23-22(20(25)26)9-7-16(8-10-22)21(3,4)5/h11-12,16H,7-10,13H2,1-6H3,(H,23,24)(H,25,26)
InChIKeyUUWAMQFACSXAHX-UHFFFAOYSA-N
XLogP4.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid (CID 54373494) is 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is COc1cc(C)cc(C)c1CC(=O)NC1(C(=O)O)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is UUWAMQFACSXAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO4/c1-14-11-15(2)17(18(12-14)27-6)13-19(24)23-22(20(25)26)9-7-16(8-10-22)21(3,4)5/h11-12,16H,7-10,13H2,1-6H3,(H,23,24)(H,25,26).
What are the key properties of 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid?
4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 375.51 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 54373494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).