N-(2-methyldodecan-2-yl)formamide

C14H29NO — CID 71736565

IUPACN-(2-methyldodecan-2-yl)formamide
SMILESCCCCCCCCCCC(C)(C)NC=O
InChIInChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-12-14(2,3)15-13-16/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyOOFFCTQMHFPKEB-UHFFFAOYSA-N
MW227.39 g/mol
LogP4.04
Rot. Bonds11

About N-(2-methyldodecan-2-yl)formamide

N-(2-methyldodecan-2-yl)formamide (PubChem CID 71736565) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-(2-methyldodecan-2-yl)formamide.

Molecular Properties

Compound NameN-(2-methyldodecan-2-yl)formamide
PubChem CID71736565
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-(2-methyldodecan-2-yl)formamide
SMILESCCCCCCCCCCC(C)(C)NC=O
InChIInChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-12-14(2,3)15-13-16/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyOOFFCTQMHFPKEB-UHFFFAOYSA-N
XLogP4.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 54.04
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-(2-methyldodecan-2-yl)formamide?
The IUPAC name of N-(2-methyldodecan-2-yl)formamide (CID 71736565) is N-(2-methyldodecan-2-yl)formamide.
What is the SMILES notation for N-(2-methyldodecan-2-yl)formamide?
The canonical SMILES for N-(2-methyldodecan-2-yl)formamide is CCCCCCCCCCC(C)(C)NC=O.
What is the InChIKey of N-(2-methyldodecan-2-yl)formamide?
The InChIKey is OOFFCTQMHFPKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-12-14(2,3)15-13-16/h13H,4-12H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methyldodecan-2-yl)formamide?
N-(2-methyldodecan-2-yl)formamide has a molecular weight of 227.39 g/mol, XLogP of 4.04, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyldodecan-2-yl)formamide is sourced from PubChem (CID 71736565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).