4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid

C20H30N2O3 — CID 25184207

IUPAC4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1cccc(C(C)(C)NC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-13(2)15-6-5-7-16(12-15)20(3,4)22-19(25)21-17-10-8-14(9-11-17)18(23)24/h5-7,12-14,17H,8-11H2,1-4H3,(H,23,24)(H2,21,22,25)
InChIKeyQBLRXDGSOLCOMM-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.99
Rot. Bonds5

About 4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 25184207) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID25184207
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1cccc(C(C)(C)NC(=O)NC2CCC(C(=O)O)CC2)c1
InChIInChI=1S/C20H30N2O3/c1-13(2)15-6-5-7-16(12-15)20(3,4)22-19(25)21-17-10-8-14(9-11-17)18(23)24/h5-7,12-14,17H,8-11H2,1-4H3,(H,23,24)(H2,21,22,25)
InChIKeyQBLRXDGSOLCOMM-UHFFFAOYSA-N
XLogP3.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-cyanophenoxy)cyclohexyl]-3-[2-(3-propan-2-ylphenyl)propan-2-yl]urea
CID 25184263
4-[[3-(difluoromethyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122078754
4-[2-(2-bromophenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122023622
4-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122005305
1-cycloheptyl-3-(2-phenylpropan-2-yl)urea
CID 110469316
4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088510
cis-(1S,3R)-3-[2-(3-propan-2-ylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120674983
4-[2-(1-phenyltriazol-4-yl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122024393
4-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023484
4-(1-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61196946
cis-(1S,3R)-3-[2-(3-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676520
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 25184207) is 4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid is CC(C)c1cccc(C(C)(C)NC(=O)NC2CCC(C(=O)O)CC2)c1.
What is the InChIKey of 4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is QBLRXDGSOLCOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-13(2)15-6-5-7-16(12-15)20(3,4)22-19(25)21-17-10-8-14(9-11-17)18(23)24/h5-7,12-14,17H,8-11H2,1-4H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 346.47 g/mol, XLogP of 3.99, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-propan-2-ylphenyl)propan-2-ylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 25184207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).