4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid

C22H26N2O3 — CID 162638258

IUPAC4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CNc2cccc(C(=O)NC3CCC(C(=O)O)CC3)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-15-5-7-16(8-6-15)14-23-20-4-2-3-18(13-20)21(25)24-19-11-9-17(10-12-19)22(26)27/h2-8,13,17,19,23H,9-12,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyXLAIMZQOAGNTSB-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.98
Rot. Bonds6

About 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid

4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 162638258) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID162638258
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(CNc2cccc(C(=O)NC3CCC(C(=O)O)CC3)c2)cc1
InChIInChI=1S/C22H26N2O3/c1-15-5-7-16(8-6-15)14-23-20-4-2-3-18(13-20)21(25)24-19-11-9-17(10-12-19)22(26)27/h2-8,13,17,19,23H,9-12,14H2,1H3,(H,24,25)(H,26,27)
InChIKeyXLAIMZQOAGNTSB-UHFFFAOYSA-N
XLogP3.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973
N-cyclopropyl-3-[(4-methylphenyl)methylcarbamoylamino]benzamide
CID 47033154
4-[[3-(propanoylamino)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229392
N-cyclopropyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66399986
N-cyclopropyl-3-[3-(4-methylphenyl)propanoylamino]benzamide
CID 18121849
3-[(4-methylphenyl)methylamino]-N-propylbenzamide
CID 43675970
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
N-cyclopropyl-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109201706
3-[(2-aminophenyl)methylamino]-N-cyclopropylbenzamide
CID 66386042
N-cyclopropyl-3-[(4-methoxy-2-methylphenyl)methylamino]benzamide
CID 167899942
N-cyclopentyl-3-[(4-methylbenzoyl)amino]benzamide
CID 2221852
4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229655

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid (CID 162638258) is 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid is Cc1ccc(CNc2cccc(C(=O)NC3CCC(C(=O)O)CC3)c2)cc1.
What is the InChIKey of 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is XLAIMZQOAGNTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-5-7-16(8-6-15)14-23-20-4-2-3-18(13-20)21(25)24-19-11-9-17(10-12-19)22(26)27/h2-8,13,17,19,23H,9-12,14H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-methylphenyl)methylamino]benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 162638258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).