4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

C17H24N2O4 — CID 122006275

IUPAC4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)ccc1CNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24N2O4/c1-11-3-4-13(15(9-11)23-2)10-18-17(22)19-14-7-5-12(6-8-14)16(20)21/h3-4,9,12,14H,5-8,10H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyDKFSJCVNUQOMFQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.45
Rot. Bonds5

About 4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122006275) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122006275
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)ccc1CNC(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24N2O4/c1-11-3-4-13(15(9-11)23-2)10-18-17(22)19-14-7-5-12(6-8-14)16(20)21/h3-4,9,12,14H,5-8,10H2,1-2H3,(H,20,21)(H2,18,19,22)
InChIKeyDKFSJCVNUQOMFQ-UHFFFAOYSA-N
XLogP2.45
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(2-methoxyethoxy)-4-methylphenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005941
4-[[2-(2-ethoxyethoxy)-4-methylphenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122005886
4-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122006245
4-[(4-bromo-2-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001618
1-(4-hydroxycyclohexyl)-3-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]urea
CID 111975000
4-[[2-(2-methoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 60809174
1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
CID 110774921
4-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122017282
4-[(3-methoxy-2,5-dimethylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091843
2-[(2-methoxy-4-methylphenyl)methylamino]-2-oxoacetic acid
CID 67265253
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167
4-[(2-ethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076839

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122006275) is 4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is COc1cc(C)ccc1CNC(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is DKFSJCVNUQOMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-11-3-4-13(15(9-11)23-2)10-18-17(22)19-14-7-5-12(6-8-14)16(20)21/h3-4,9,12,14H,5-8,10H2,1-2H3,(H,20,21)(H2,18,19,22).
What are the key properties of 4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4-methylphenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122006275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).