N-(12-methyltridecyl)formamide

C15H31NO — CID 21057306

IUPACN-(12-methyltridecyl)formamide
SMILESCC(C)CCCCCCCCCCCNC=O
InChIInChI=1S/C15H31NO/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-16-14-17/h14-15H,3-13H2,1-2H3,(H,16,17)
InChIKeyDSRURWKTTDKCTI-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.29
Rot. Bonds13

About N-(12-methyltridecyl)formamide

N-(12-methyltridecyl)formamide (PubChem CID 21057306) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-(12-methyltridecyl)formamide.

Molecular Properties

Compound NameN-(12-methyltridecyl)formamide
PubChem CID21057306
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-(12-methyltridecyl)formamide
SMILESCC(C)CCCCCCCCCCCNC=O
InChIInChI=1S/C15H31NO/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-16-14-17/h14-15H,3-13H2,1-2H3,(H,16,17)
InChIKeyDSRURWKTTDKCTI-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
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-(12-methyltridecyl)formamide?
The IUPAC name of N-(12-methyltridecyl)formamide (CID 21057306) is N-(12-methyltridecyl)formamide.
What is the SMILES notation for N-(12-methyltridecyl)formamide?
The canonical SMILES for N-(12-methyltridecyl)formamide is CC(C)CCCCCCCCCCCNC=O.
What is the InChIKey of N-(12-methyltridecyl)formamide?
The InChIKey is DSRURWKTTDKCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-16-14-17/h14-15H,3-13H2,1-2H3,(H,16,17).
What are the key properties of N-(12-methyltridecyl)formamide?
N-(12-methyltridecyl)formamide has a molecular weight of 241.42 g/mol, XLogP of 4.29, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-methyltridecyl)formamide is sourced from PubChem (CID 21057306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).