N-(5-heptyltridecyl)formamide

C21H43NO — CID 166649045

IUPACN-(5-heptyltridecyl)formamide
SMILESCCCCCCCCC(CCCCCCC)CCCCNC=O
InChIInChI=1S/C21H43NO/c1-3-5-7-9-11-13-17-21(16-12-10-8-6-4-2)18-14-15-19-22-20-23/h20-21H,3-19H2,1-2H3,(H,22,23)
InChIKeyKJPPNTPRKSIEOF-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.63
Rot. Bonds19

About N-(5-heptyltridecyl)formamide

N-(5-heptyltridecyl)formamide (PubChem CID 166649045) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is N-(5-heptyltridecyl)formamide.

Molecular Properties

Compound NameN-(5-heptyltridecyl)formamide
PubChem CID166649045
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC NameN-(5-heptyltridecyl)formamide
SMILESCCCCCCCCC(CCCCCCC)CCCCNC=O
InChIInChI=1S/C21H43NO/c1-3-5-7-9-11-13-17-21(16-12-10-8-6-4-2)18-14-15-19-22-20-23/h20-21H,3-19H2,1-2H3,(H,22,23)
InChIKeyKJPPNTPRKSIEOF-UHFFFAOYSA-N
XLogP6.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.63
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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Related Compounds

N-(4-butyldecyl)formamide
CID 166649158
N-tetracosylformamide
CID 54077607
N-pentacosylformamide
CID 88723962
N-(2-hexyldecyl)formamide
CID 54204817
ethane;N-pentylformamide
CID 145350301
18-hexyl-53-octyl-13-pentyl-48-tetradecylnonahexacontane
CID 162711023
11-pentylheptacosane
CID 91575569
17-pentylhexatriacontane
CID 91327833
7-pentylheptadecane
CID 528528
15-pentylheptatriacontane
CID 91048198
7-pentylnonadecane
CID 59903423
8-heptyloctadecane
CID 173205504

Frequently Asked Questions

What is the IUPAC name of N-(5-heptyltridecyl)formamide?
The IUPAC name of N-(5-heptyltridecyl)formamide (CID 166649045) is N-(5-heptyltridecyl)formamide.
What is the SMILES notation for N-(5-heptyltridecyl)formamide?
The canonical SMILES for N-(5-heptyltridecyl)formamide is CCCCCCCCC(CCCCCCC)CCCCNC=O.
What is the InChIKey of N-(5-heptyltridecyl)formamide?
The InChIKey is KJPPNTPRKSIEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-3-5-7-9-11-13-17-21(16-12-10-8-6-4-2)18-14-15-19-22-20-23/h20-21H,3-19H2,1-2H3,(H,22,23).
What are the key properties of N-(5-heptyltridecyl)formamide?
N-(5-heptyltridecyl)formamide has a molecular weight of 325.58 g/mol, XLogP of 6.63, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-heptyltridecyl)formamide is sourced from PubChem (CID 166649045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).