4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

C21H23N3O5 — CID 122086156

IUPAC4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccccc1Oc1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C21H23N3O5/c22-19(25)17-3-1-2-4-18(17)29-16-11-9-15(10-12-16)24-21(28)23-14-7-5-13(6-8-14)20(26)27/h1-4,9-14H,5-8H2,(H2,22,25)(H,26,27)(H2,23,24,28)
InChIKeyCWNSSWHIWLBIII-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.34
Rot. Bonds6

About 4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122086156) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122086156
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1ccccc1Oc1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1
InChIInChI=1S/C21H23N3O5/c22-19(25)17-3-1-2-4-18(17)29-16-11-9-15(10-12-16)24-21(28)23-14-7-5-13(6-8-14)20(26)27/h1-4,9-14H,5-8H2,(H2,22,25)(H,26,27)(H2,23,24,28)
InChIKeyCWNSSWHIWLBIII-UHFFFAOYSA-N
XLogP3.34
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-cyanophenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077652
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
4-[(4-carbamoyl-3-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079465
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
2-[4-[(5-methyl-2,3-dihydro-1H-inden-1-yl)carbamoylamino]phenoxy]benzamide
CID 167789116
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
1-cyclopropyl-3-[6-(4-phenoxyanilino)pyridazin-3-yl]urea
CID 113049902
4-[[6-(4-methylphenoxy)-3-pyridinyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076375
4-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122075157
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
4-[(4-ethoxycarbonylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076103
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122086156) is 4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is NC(=O)c1ccccc1Oc1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1.
What is the InChIKey of 4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CWNSSWHIWLBIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c22-19(25)17-3-1-2-4-18(17)29-16-11-9-15(10-12-16)24-21(28)23-14-7-5-13(6-8-14)20(26)27/h1-4,9-14H,5-8H2,(H2,22,25)(H,26,27)(H2,23,24,28).
What are the key properties of 4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 397.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-carbamoylphenoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122086156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).