4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

C22H26N2O4 — CID 122092860

IUPAC4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(OCCc2ccccc2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C22H26N2O4/c25-21(26)17-9-11-18(12-10-17)23-22(27)24-19-7-4-8-20(15-19)28-14-13-16-5-2-1-3-6-16/h1-8,15,17-18H,9-14H2,(H,25,26)(H2,23,24,27)
InChIKeyJLVOOQPUFHNKHC-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.07
Rot. Bonds7

About 4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122092860) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122092860
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1cccc(OCCc2ccccc2)c1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C22H26N2O4/c25-21(26)17-9-11-18(12-10-17)23-22(27)24-19-7-4-8-20(15-19)28-14-13-16-5-2-1-3-6-16/h1-8,15,17-18H,9-14H2,(H,25,26)(H2,23,24,27)
InChIKeyJLVOOQPUFHNKHC-UHFFFAOYSA-N
XLogP4.07
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
1-[[3-(2-phenylethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092864
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
4-[[3-[(2-methoxy-2-oxoethyl)sulfanylmethyl]phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079391
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031036
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
N-cyclohexyl-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54828224
N-[3-(2-phenylethoxy)phenyl]-2-piperidin-1-ylacetamide
CID 54813456
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122092860) is 4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(Nc1cccc(OCCc2ccccc2)c1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is JLVOOQPUFHNKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-21(26)17-9-11-18(12-10-17)23-22(27)24-19-7-4-8-20(15-19)28-14-13-16-5-2-1-3-6-16/h1-8,15,17-18H,9-14H2,(H,25,26)(H2,23,24,27).
What are the key properties of 4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 382.46 g/mol, XLogP of 4.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122092860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).