N-dodecyl-N-propylformamide

C16H33NO — CID 54379720

IUPACN-dodecyl-N-propylformamide
SMILESCCCCCCCCCCCCN(C=O)CCC
InChIInChI=1S/C16H33NO/c1-3-5-6-7-8-9-10-11-12-13-15-17(16-18)14-4-2/h16H,3-15H2,1-2H3
InChIKeyKAUUMGSCMHSUOE-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.78
Rot. Bonds14

About N-dodecyl-N-propylformamide

N-dodecyl-N-propylformamide (PubChem CID 54379720) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-dodecyl-N-propylformamide.

Molecular Properties

Compound NameN-dodecyl-N-propylformamide
PubChem CID54379720
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-dodecyl-N-propylformamide
SMILESCCCCCCCCCCCCN(C=O)CCC
InChIInChI=1S/C16H33NO/c1-3-5-6-7-8-9-10-11-12-13-15-17(16-18)14-4-2/h16H,3-15H2,1-2H3
InChIKeyKAUUMGSCMHSUOE-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.78
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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Related Compounds

N,N-bis(2-ethylhexyl)formamide
CID 18982711
N,N-dioctadecylcarbamoyl chloride
CID 3016265
Dihexadecylcarbamyl chloride
CID 20231454
N-dodecyl-N-methylformamide
CID 12651456
Formamide, N,N-dioctyl-
CID 221420
N,N-Dioctylacetamide
CID 588477
Formamide, N,N-dihexyl-
CID 10420764
Methylhexylformamide
CID 272128
N,N-dipentylformamide
CID 346328
N,N-ditetradecylacetamide
CID 10072531
N-propyl-N-octylformamide
CID 12622738
N-butyl-N-octylformamide
CID 12749101

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-propylformamide?
The IUPAC name of N-dodecyl-N-propylformamide (CID 54379720) is N-dodecyl-N-propylformamide.
What is the SMILES notation for N-dodecyl-N-propylformamide?
The canonical SMILES for N-dodecyl-N-propylformamide is CCCCCCCCCCCCN(C=O)CCC.
What is the InChIKey of N-dodecyl-N-propylformamide?
The InChIKey is KAUUMGSCMHSUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-3-5-6-7-8-9-10-11-12-13-15-17(16-18)14-4-2/h16H,3-15H2,1-2H3.
What are the key properties of N-dodecyl-N-propylformamide?
N-dodecyl-N-propylformamide has a molecular weight of 255.45 g/mol, XLogP of 4.78, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-propylformamide is sourced from PubChem (CID 54379720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).