12-(cyclohexylcarbamoylamino)dodecanoic acid

C19H36N2O3 — CID 22978774

IUPAC12-(cyclohexylcarbamoylamino)dodecanoic acid
SMILESO=C(O)CCCCCCCCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C19H36N2O3/c22-18(23)15-11-6-4-2-1-3-5-7-12-16-20-19(24)21-17-13-9-8-10-14-17/h17H,1-16H2,(H,22,23)(H2,20,21,24)
InChIKeyHPTJABJPZMULFH-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.60
Rot. Bonds13

About 12-(cyclohexylcarbamoylamino)dodecanoic acid

12-(cyclohexylcarbamoylamino)dodecanoic acid (PubChem CID 22978774) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is 12-(cyclohexylcarbamoylamino)dodecanoic acid.

Molecular Properties

Compound Name12-(cyclohexylcarbamoylamino)dodecanoic acid
PubChem CID22978774
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Name12-(cyclohexylcarbamoylamino)dodecanoic acid
SMILESO=C(O)CCCCCCCCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C19H36N2O3/c22-18(23)15-11-6-4-2-1-3-5-7-12-16-20-19(24)21-17-13-9-8-10-14-17/h17H,1-16H2,(H,22,23)(H2,20,21,24)
InChIKeyHPTJABJPZMULFH-UHFFFAOYSA-N
XLogP4.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 12-(cyclohexylcarbamoylamino)dodecanoic acid?
The IUPAC name of 12-(cyclohexylcarbamoylamino)dodecanoic acid (CID 22978774) is 12-(cyclohexylcarbamoylamino)dodecanoic acid.
What is the SMILES notation for 12-(cyclohexylcarbamoylamino)dodecanoic acid?
The canonical SMILES for 12-(cyclohexylcarbamoylamino)dodecanoic acid is O=C(O)CCCCCCCCCCCNC(=O)NC1CCCCC1.
What is the InChIKey of 12-(cyclohexylcarbamoylamino)dodecanoic acid?
The InChIKey is HPTJABJPZMULFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c22-18(23)15-11-6-4-2-1-3-5-7-12-16-20-19(24)21-17-13-9-8-10-14-17/h17H,1-16H2,(H,22,23)(H2,20,21,24).
What are the key properties of 12-(cyclohexylcarbamoylamino)dodecanoic acid?
12-(cyclohexylcarbamoylamino)dodecanoic acid has a molecular weight of 340.51 g/mol, XLogP of 4.60, 13 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(cyclohexylcarbamoylamino)dodecanoic acid is sourced from PubChem (CID 22978774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).