4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid

C19H26N2O3 — CID 122001950

IUPAC4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1C(NC(=O)NC1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C19H26N2O3/c1-12-4-2-3-5-16(12)17(13-6-7-13)21-19(24)20-15-10-8-14(9-11-15)18(22)23/h2-5,13-15,17H,6-11H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyZBHJZSIBXQGJAB-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.39
Rot. Bonds5

About 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122001950) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122001950
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccccc1C(NC(=O)NC1CCC(C(=O)O)CC1)C1CC1
InChIInChI=1S/C19H26N2O3/c1-12-4-2-3-5-16(12)17(13-6-7-13)21-19(24)20-15-10-8-14(9-11-15)18(22)23/h2-5,13-15,17H,6-11H2,1H3,(H,22,23)(H2,20,21,24)
InChIKeyZBHJZSIBXQGJAB-UHFFFAOYSA-N
XLogP3.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclopropyl-(2,6-dichlorophenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122014713
4-(1-cyclopropylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61198859
4-[[2,2-dimethyl-1-(2-methylphenyl)propyl]amino]cyclohexane-1-carboxylic acid
CID 122031830
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 100744634
5-[[cyclopropyl-(2-methylphenyl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 119184883
4-[[cyclobutyl(cyclopropyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017165
4-[(2-fluorophenyl)-(methylamino)methyl]cyclohexane-1-carboxylic acid
CID 116953971
4-[[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001879
4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017282
1-cyclopropyl-N-methyl-1-(2-methylphenyl)methanamine
CID 60819765
2-amino-N-cyclopropyl-2-(2-methylphenyl)acetamide
CID 83532364

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122001950) is 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid is Cc1ccccc1C(NC(=O)NC1CCC(C(=O)O)CC1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ZBHJZSIBXQGJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12-4-2-3-5-16(12)17(13-6-7-13)21-19(24)20-15-10-8-14(9-11-15)18(22)23/h2-5,13-15,17H,6-11H2,1H3,(H,22,23)(H2,20,21,24).
What are the key properties of 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 330.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl-(2-methylphenyl)methyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122001950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).