N-dodecylcyclohexanecarboxamide

C19H37NO — CID 3730607

IUPACN-dodecylcyclohexanecarboxamide
SMILESCCCCCCCCCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(21)18-15-12-11-13-16-18/h18H,2-17H2,1H3,(H,20,21)
InChIKeyZFEOFDFKIOBFFR-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.60
Rot. Bonds12

About N-dodecylcyclohexanecarboxamide

N-dodecylcyclohexanecarboxamide (PubChem CID 3730607) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is N-dodecylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-dodecylcyclohexanecarboxamide
PubChem CID3730607
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC NameN-dodecylcyclohexanecarboxamide
SMILESCCCCCCCCCCCCNC(=O)C1CCCCC1
InChIInChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(21)18-15-12-11-13-16-18/h18H,2-17H2,1H3,(H,20,21)
InChIKeyZFEOFDFKIOBFFR-UHFFFAOYSA-N
XLogP5.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.60
H-Bond Donors ≤ 51
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 N-dodecylcyclohexanecarboxamide?
The IUPAC name of N-dodecylcyclohexanecarboxamide (CID 3730607) is N-dodecylcyclohexanecarboxamide.
What is the SMILES notation for N-dodecylcyclohexanecarboxamide?
The canonical SMILES for N-dodecylcyclohexanecarboxamide is CCCCCCCCCCCCNC(=O)C1CCCCC1.
What is the InChIKey of N-dodecylcyclohexanecarboxamide?
The InChIKey is ZFEOFDFKIOBFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-2-3-4-5-6-7-8-9-10-14-17-20-19(21)18-15-12-11-13-16-18/h18H,2-17H2,1H3,(H,20,21).
What are the key properties of N-dodecylcyclohexanecarboxamide?
N-dodecylcyclohexanecarboxamide has a molecular weight of 295.51 g/mol, XLogP of 5.60, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecylcyclohexanecarboxamide is sourced from PubChem (CID 3730607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).