4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

C18H24N2O4 — CID 120672448

IUPAC4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C)C(=O)c1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-20(2)17(22)14-5-3-12(4-6-14)11-19-16(21)13-7-9-15(10-8-13)18(23)24/h3-6,13,15H,7-11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyRZIDMDCYUHQIRN-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.90
Rot. Bonds5

About 4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672448) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672448
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCN(C)C(=O)c1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C18H24N2O4/c1-20(2)17(22)14-5-3-12(4-6-14)11-19-16(21)13-7-9-15(10-8-13)18(23)24/h3-6,13,15H,7-11H2,1-2H3,(H,19,21)(H,23,24)
InChIKeyRZIDMDCYUHQIRN-UHFFFAOYSA-N
XLogP1.90
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974686
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
4-[[[(1R,3R,4S)-4-hydroxy-3-methoxycyclohexanecarbonyl]amino]methyl]-N,N-dimethylbenzamide
CID 135094441
4-[(4-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672579
4-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229257
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672387
4-[(4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120690624
2-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]-ethylamino]acetic acid
CID 119205884
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46422068
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120672448) is 4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid is CN(C)C(=O)c1ccc(CNC(=O)C2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is RZIDMDCYUHQIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-20(2)17(22)14-5-3-12(4-6-14)11-19-16(21)13-7-9-15(10-8-13)18(23)24/h3-6,13,15H,7-11H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 332.40 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).