1-cyclohexyl-3-tetradecylurea

C21H42N2O — CID 10936690

IUPAC1-cyclohexyl-3-tetradecylurea
SMILESCCCCCCCCCCCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-21(24)23-20-17-14-13-15-18-20/h20H,2-19H2,1H3,(H2,22,23,24)
InChIKeyRCFRLECTXHJHFW-UHFFFAOYSA-N
MW338.58 g/mol
LogP6.32
Rot. Bonds14

About 1-cyclohexyl-3-tetradecylurea

1-cyclohexyl-3-tetradecylurea (PubChem CID 10936690) has the molecular formula C21H42N2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 1-cyclohexyl-3-tetradecylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-tetradecylurea
PubChem CID10936690
Molecular FormulaC21H42N2O
Molecular Weight338.58 g/mol
Exact Mass338.33
IUPAC Name1-cyclohexyl-3-tetradecylurea
SMILESCCCCCCCCCCCCCCNC(=O)NC1CCCCC1
InChIInChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-21(24)23-20-17-14-13-15-18-20/h20H,2-19H2,1H3,(H2,22,23,24)
InChIKeyRCFRLECTXHJHFW-UHFFFAOYSA-N
XLogP6.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.58
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1-cyclohexyl-3-tetradecylurea?
The IUPAC name of 1-cyclohexyl-3-tetradecylurea (CID 10936690) is 1-cyclohexyl-3-tetradecylurea.
What is the SMILES notation for 1-cyclohexyl-3-tetradecylurea?
The canonical SMILES for 1-cyclohexyl-3-tetradecylurea is CCCCCCCCCCCCCCNC(=O)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-tetradecylurea?
The InChIKey is RCFRLECTXHJHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22-21(24)23-20-17-14-13-15-18-20/h20H,2-19H2,1H3,(H2,22,23,24).
What are the key properties of 1-cyclohexyl-3-tetradecylurea?
1-cyclohexyl-3-tetradecylurea has a molecular weight of 338.58 g/mol, XLogP of 6.32, 14 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-tetradecylurea is sourced from PubChem (CID 10936690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).