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

C15H20N2O4 — CID 63043293

IUPAC3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NC2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O4/c1-21-13-7-5-11(6-8-13)16-15(20)17-12-4-2-3-10(9-12)14(18)19/h5-8,10,12H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWSRBPFSRAQGBPJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.46
Rot. Bonds4

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

3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 63043293) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID63043293
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)NC2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O4/c1-21-13-7-5-11(6-8-13)16-15(20)17-12-4-2-3-10(9-12)14(18)19/h5-8,10,12H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20)
InChIKeyWSRBPFSRAQGBPJ-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

1-[(1R,5R)-9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(4-methoxyphenyl)urea
CID 1461544
1-(4-methoxyphenyl)-3-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
CID 38885386
1-[(3R)-1,1-dioxothian-3-yl]-3-(4-methoxyphenyl)urea
CID 95628329
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
cis-(1R,3S)-3-(phenylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321479
3-[(4-acetylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032344
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
3-[2-(4-methoxyphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63042624
3-[1-(4-methoxyphenyl)ethylamino]cyclohexane-1-carboxylic acid
CID 65066346
1-[(1R,3R)-3-methylcyclohexyl]-3-phenylurea
CID 41098100
1-cyclobutyl-3-(4-phenoxyphenyl)urea
CID 23959001
3-[(2-hydroxy-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043634

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 63043293) is 3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is COc1ccc(NC(=O)NC2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WSRBPFSRAQGBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-7-5-11(6-8-13)16-15(20)17-12-4-2-3-10(9-12)14(18)19/h5-8,10,12H,2-4,9H2,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
3-[(4-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 3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63043293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).