4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C17H22N2O5 — CID 120672574

IUPAC4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCNC(=O)c1ccc(OC)c(NC(=O)C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H22N2O5/c1-18-15(20)12-7-8-14(24-2)13(9-12)19-16(21)10-3-5-11(6-4-10)17(22)23/h7-11H,3-6H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyLXIXQJUWEXFESA-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.88
Rot. Bonds5

About 4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120672574) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120672574
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESCNC(=O)c1ccc(OC)c(NC(=O)C2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C17H22N2O5/c1-18-15(20)12-7-8-14(24-2)13(9-12)19-16(21)10-3-5-11(6-4-10)17(22)23/h7-11H,3-6H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)
InChIKeyLXIXQJUWEXFESA-UHFFFAOYSA-N
XLogP1.88
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminocyclopentanecarbonyl)amino]-4-methoxy-N-methylbenzamide
CID 119714004
3-(cyclopentanecarbonylamino)-4-methoxy-N-phenylbenzamide
CID 70686592
1-(1,3-benzoxazol-2-yl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 78887350
(3R)-1-(dimethylsulfamoyl)-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 95877726
N-(5-ethyl-2-methoxyphenyl)cyclopropanecarboxamide
CID 110777232
N-(2-methoxy-4,5-dimethylphenyl)cyclopropanecarboxamide
CID 110776819
N-(3-acetamido-4-methoxyphenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 35347425
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
trans-(1R,3R)-3-[[5-(cyclopropanecarbonylamino)-2-methoxyphenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391526
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995011

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120672574) is 4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is CNC(=O)c1ccc(OC)c(NC(=O)C2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LXIXQJUWEXFESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-18-15(20)12-7-8-14(24-2)13(9-12)19-16(21)10-3-5-11(6-4-10)17(22)23/h7-11H,3-6H2,1-2H3,(H,18,20)(H,19,21)(H,22,23).
What are the key properties of 4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 334.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120672574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).