4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C17H24N2O4 — CID 122091843

IUPAC4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)cc(NC(=O)NC2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C17H24N2O4/c1-10-8-14(11(2)15(9-10)23-3)19-17(22)18-13-6-4-12(5-7-13)16(20)21/h8-9,12-13H,4-7H2,1-3H3,(H,20,21)(H2,18,19,22)
InChIKeyGGLGYPNTVBZBMG-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.08
Rot. Bonds4

About 4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122091843) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122091843
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)cc(NC(=O)NC2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C17H24N2O4/c1-10-8-14(11(2)15(9-10)23-3)19-17(22)18-13-6-4-12(5-7-13)16(20)21/h8-9,12-13H,4-7H2,1-3H3,(H,20,21)(H2,18,19,22)
InChIKeyGGLGYPNTVBZBMG-UHFFFAOYSA-N
XLogP3.08
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3,5-dimethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094174
cis-(1R,3S)-3-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106324088
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839
4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006275
2-[cyclopropylmethyl-[3-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122091846
4-[(2-ethoxy-5-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079533
4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017282
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
4-[[3-(dimethylamino)-2-methylphenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088906
4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094449
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
4-[(3-carbamoyl-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094809

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 122091843) is 4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is COc1cc(C)cc(NC(=O)NC2CCC(C(=O)O)CC2)c1C.
What is the InChIKey of 4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is GGLGYPNTVBZBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-10-8-14(11(2)15(9-10)23-3)19-17(22)18-13-6-4-12(5-7-13)16(20)21/h8-9,12-13H,4-7H2,1-3H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122091843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).