4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

C18H32N2O3 — CID 122025047

IUPAC4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCN(CC1CCCCC1)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H32N2O3/c1-2-12-20(13-14-6-4-3-5-7-14)18(23)19-16-10-8-15(9-11-16)17(21)22/h14-16H,2-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyOUEKUKUGIXTFSF-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.63
Rot. Bonds6

About 4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid

4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122025047) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122025047
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
SMILESCCCN(CC1CCCCC1)C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C18H32N2O3/c1-2-12-20(13-14-6-4-3-5-7-14)18(23)19-16-10-8-15(9-11-16)17(21)22/h14-16H,2-13H2,1H3,(H,19,23)(H,21,22)
InChIKeyOUEKUKUGIXTFSF-UHFFFAOYSA-N
XLogP3.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[cyclobutylmethyl(ethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 107400206
3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea
CID 79721029
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
cis-(1R,3S)-3-[[cyclohexylmethyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319422
4-[[benzyl(cyclobutylmethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025029
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
cis-(1R,3S)-3-(dibutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106324121
4-[[cycloheptyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61201100
4-[[cyclooctyl(methyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024931
4-[bis(2,2-dimethylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023696

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid (CID 122025047) is 4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is CCCN(CC1CCCCC1)C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is OUEKUKUGIXTFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-2-12-20(13-14-6-4-3-5-7-14)18(23)19-16-10-8-15(9-11-16)17(21)22/h14-16H,2-13H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid?
4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 324.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclohexylmethyl(propyl)carbamoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122025047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).