4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C15H20N2O4 — CID 61190108

IUPAC4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(NC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H20N2O4/c1-21-13-4-2-3-12(9-13)17-15(20)16-11-7-5-10(6-8-11)14(18)19/h2-4,9-11H,5-8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyALONKHGEHBIYHQ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.46
Rot. Bonds4

About 4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 61190108) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID61190108
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1cccc(NC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C15H20N2O4/c1-21-13-4-2-3-12(9-13)17-15(20)16-11-7-5-10(6-8-11)14(18)19/h2-4,9-11H,5-8H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyALONKHGEHBIYHQ-UHFFFAOYSA-N
XLogP2.46
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.46
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-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092860
4-[(3-methylsulfanylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61183412
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023538
4-[[3-[(2-methoxy-2-oxoethyl)sulfanylmethyl]phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079391
4-[[1-(3-methoxyphenyl)cyclopentyl]methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122001389
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
4-[(3,5-dimethoxy-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094174
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
3-[[3-(methoxymethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 66031036

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 61190108) is 4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is COc1cccc(NC(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ALONKHGEHBIYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-4-2-3-12(9-13)17-15(20)16-11-7-5-10(6-8-11)14(18)19/h2-4,9-11H,5-8H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61190108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).