4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid

C26H32N2O5 — CID 162043260

IUPAC4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid
SMILESCc1ccc(N(C)C(=O)NCCCC(=O)c2ccc(OC3CCC(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C26H32N2O5/c1-18-5-11-21(12-6-18)28(2)26(32)27-17-3-4-24(29)19-7-13-22(14-8-19)33-23-15-9-20(10-16-23)25(30)31/h5-8,11-14,20,23H,3-4,9-10,15-17H2,1-2H3,(H,27,32)(H,30,31)
InChIKeyYXODDTAPOMKBTQ-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.83
Rot. Bonds9

About 4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid

4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid (PubChem CID 162043260) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is 4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid
PubChem CID162043260
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Name4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid
SMILESCc1ccc(N(C)C(=O)NCCCC(=O)c2ccc(OC3CCC(C(=O)O)CC3)cc2)cc1
InChIInChI=1S/C26H32N2O5/c1-18-5-11-21(12-6-18)28(2)26(32)27-17-3-4-24(29)19-7-13-22(14-8-19)33-23-15-9-20(10-16-23)25(30)31/h5-8,11-14,20,23H,3-4,9-10,15-17H2,1-2H3,(H,27,32)(H,30,31)
InChIKeyYXODDTAPOMKBTQ-UHFFFAOYSA-N
XLogP4.83
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-[4-[[4-[(1R)-1-phenylethoxy]benzoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 158490997
4-[4-[4-[(2-phenylcyclopropanecarbonyl)amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 161083537
4-[4-[4-(1-benzothiophene-5-carbonylamino)butanoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 159072096
4-[4-[4-[[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 152866769
4-[4-[4-[(3-chloro-1-methylindole-2-carbonyl)amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 158702688
4-[4-[4-[(3-chloro-4-methylbenzoyl)amino]butanoyl]-3-methylphenoxy]cyclohexane-1-carboxylic acid
CID 159483050
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846
ethyl 4-[4-[4-[[4-(2-methylpropyl)benzoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylate
CID 158863273
4-[4-[4-[(4-chloro-3-methylbenzoyl)amino]butanoyl]-3-fluorophenoxy]cyclohexane-1-carboxylic acid
CID 152853395
4-[4-[4-[(3-chloro-4-methylbenzoyl)amino]butanoyl]-2-fluorophenoxy]cyclohexane-1-carboxylic acid
CID 149400375
4-[2,6-difluoro-4-[4-(naphthalene-2-carbonylamino)butanoyl]phenoxy]cyclohexane-1-carboxylic acid
CID 162216330
4-[4-[4-[(7-chloronaphthalene-2-carbonyl)amino]butanoyl]-3-fluorophenoxy]cyclohexane-1-carboxylic acid
CID 161438065

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid (CID 162043260) is 4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid is Cc1ccc(N(C)C(=O)NCCCC(=O)c2ccc(OC3CCC(C(=O)O)CC3)cc2)cc1.
What is the InChIKey of 4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid?
The InChIKey is YXODDTAPOMKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O5/c1-18-5-11-21(12-6-18)28(2)26(32)27-17-3-4-24(29)19-7-13-22(14-8-19)33-23-15-9-20(10-16-23)25(30)31/h5-8,11-14,20,23H,3-4,9-10,15-17H2,1-2H3,(H,27,32)(H,30,31).
What are the key properties of 4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid?
4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid has a molecular weight of 452.55 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-[[methyl-(4-methylphenyl)carbamoyl]amino]butanoyl]phenoxy]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 162043260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).