N-dodecyl-N-methylformamide

C14H29NO — CID 12651456

IUPACN-dodecyl-N-methylformamide
SMILESCCCCCCCCCCCCN(C)C=O
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16/h14H,3-13H2,1-2H3
InChIKeyJQVWURHUEOBNKK-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.00
Rot. Bonds12

About N-dodecyl-N-methylformamide

N-dodecyl-N-methylformamide (PubChem CID 12651456) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-dodecyl-N-methylformamide.

Molecular Properties

Compound NameN-dodecyl-N-methylformamide
PubChem CID12651456
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-dodecyl-N-methylformamide
SMILESCCCCCCCCCCCCN(C)C=O
InChIInChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16/h14H,3-13H2,1-2H3
InChIKeyJQVWURHUEOBNKK-UHFFFAOYSA-N
XLogP4.00
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-methylformamide?
The IUPAC name of N-dodecyl-N-methylformamide (CID 12651456) is N-dodecyl-N-methylformamide.
What is the SMILES notation for N-dodecyl-N-methylformamide?
The canonical SMILES for N-dodecyl-N-methylformamide is CCCCCCCCCCCCN(C)C=O.
What is the InChIKey of N-dodecyl-N-methylformamide?
The InChIKey is JQVWURHUEOBNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-4-5-6-7-8-9-10-11-12-13-15(2)14-16/h14H,3-13H2,1-2H3.
What are the key properties of N-dodecyl-N-methylformamide?
N-dodecyl-N-methylformamide has a molecular weight of 227.39 g/mol, XLogP of 4.00, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-methylformamide is sourced from PubChem (CID 12651456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).