N-(9,10-dimethyltricosan-9-yl)formamide

C26H53NO — CID 54502764

IUPACN-(9,10-dimethyltricosan-9-yl)formamide
SMILESCCCCCCCCCCCCCC(C)C(C)(CCCCCCCC)NC=O
InChIInChI=1S/C26H53NO/c1-5-7-9-11-13-14-15-16-17-18-20-22-25(3)26(4,27-24-28)23-21-19-12-10-8-6-2/h24-25H,5-23H2,1-4H3,(H,27,28)
InChIKeyQCTOVGRLWILRBC-UHFFFAOYSA-N
MW395.72 g/mol
LogP8.58
Rot. Bonds22

About N-(9,10-dimethyltricosan-9-yl)formamide

N-(9,10-dimethyltricosan-9-yl)formamide (PubChem CID 54502764) has the molecular formula C26H53NO and a molecular weight of 395.72 g/mol. Its IUPAC name is N-(9,10-dimethyltricosan-9-yl)formamide.

Molecular Properties

Compound NameN-(9,10-dimethyltricosan-9-yl)formamide
PubChem CID54502764
Molecular FormulaC26H53NO
Molecular Weight395.72 g/mol
Exact Mass395.41
IUPAC NameN-(9,10-dimethyltricosan-9-yl)formamide
SMILESCCCCCCCCCCCCCC(C)C(C)(CCCCCCCC)NC=O
InChIInChI=1S/C26H53NO/c1-5-7-9-11-13-14-15-16-17-18-20-22-25(3)26(4,27-24-28)23-21-19-12-10-8-6-2/h24-25H,5-23H2,1-4H3,(H,27,28)
InChIKeyQCTOVGRLWILRBC-UHFFFAOYSA-N
XLogP8.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.72
LogP ≤ 58.58
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

12-chloro-13-methyl-12-undecyltetracosane
CID 88839941
13-chloro-13-dodecyl-14-methylhexacosane
CID 88839869
azane;7-chloro-7-hexyl-8-methyltetradecane
CID 88840314
11,12-dimethylheptacosan-11-amine
CID 174255229
2,2,3-trimethylundecane
CID 21285055
N-[(2R)-octan-2-yl]formamide
CID 5478865
(8-methyl-7-phosphanyltetradecan-7-yl)phosphane
CID 174915942
12-heptyl-11-hexyl-2,3,3,4,11,12-hexamethylnonadecane
CID 91509924
2-iodo-2,3-dimethylnonane
CID 157257011
2-chloro-2,3-dimethyltridecane
CID 87222996
2,3-dimethylhexadecan-2-amine
CID 87479269
2-chloro-2,3-dimethylnonane
CID 87897655

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dimethyltricosan-9-yl)formamide?
The IUPAC name of N-(9,10-dimethyltricosan-9-yl)formamide (CID 54502764) is N-(9,10-dimethyltricosan-9-yl)formamide.
What is the SMILES notation for N-(9,10-dimethyltricosan-9-yl)formamide?
The canonical SMILES for N-(9,10-dimethyltricosan-9-yl)formamide is CCCCCCCCCCCCCC(C)C(C)(CCCCCCCC)NC=O.
What is the InChIKey of N-(9,10-dimethyltricosan-9-yl)formamide?
The InChIKey is QCTOVGRLWILRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53NO/c1-5-7-9-11-13-14-15-16-17-18-20-22-25(3)26(4,27-24-28)23-21-19-12-10-8-6-2/h24-25H,5-23H2,1-4H3,(H,27,28).
What are the key properties of N-(9,10-dimethyltricosan-9-yl)formamide?
N-(9,10-dimethyltricosan-9-yl)formamide has a molecular weight of 395.72 g/mol, XLogP of 8.58, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dimethyltricosan-9-yl)formamide is sourced from PubChem (CID 54502764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).