N-(2-ethyl-1-phenylhexyl)formamide

C15H23NO — CID 138546224

IUPACN-(2-ethyl-1-phenylhexyl)formamide
SMILESCCCCC(CC)C(NC=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-5-9-13(4-2)15(16-12-17)14-10-7-6-8-11-14/h6-8,10-13,15H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyPSZNNAIWQJPUSY-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.69
Rot. Bonds8

About N-(2-ethyl-1-phenylhexyl)formamide

N-(2-ethyl-1-phenylhexyl)formamide (PubChem CID 138546224) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(2-ethyl-1-phenylhexyl)formamide.

Molecular Properties

Compound NameN-(2-ethyl-1-phenylhexyl)formamide
PubChem CID138546224
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC NameN-(2-ethyl-1-phenylhexyl)formamide
SMILESCCCCC(CC)C(NC=O)c1ccccc1
InChIInChI=1S/C15H23NO/c1-3-5-9-13(4-2)15(16-12-17)14-10-7-6-8-11-14/h6-8,10-13,15H,3-5,9H2,1-2H3,(H,16,17)
InChIKeyPSZNNAIWQJPUSY-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[4-(phenoxymethyl)octan-3-yl]formamide
CID 174780944
(2-ethyl-1-phenylheptyl) formate
CID 174539302
(2-ethyl-1-phenyldecyl) formate
CID 174631629
4-ethylnonan-5-ylbenzene
CID 173025957
(2-ethyl-1-phenylhexyl) hydrogen carbonate
CID 176898720
3-phenylheptanal
CID 10954355
1-phenylpentyl formate
CID 54289292
1-phosphorosopentylbenzene
CID 54262186
1-(4-butylphenyl)-N,2-diethylhexan-1-amine
CID 63507624
heptan-3-ylbenzene;methane
CID 159006232
(1R,2R)-N,N'-dibutyl-1,2-diphenylethane-1,2-diamine
CID 100914664
[(E)-8-phenyldodec-6-en-5-yl]benzene
CID 14267465

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1-phenylhexyl)formamide?
The IUPAC name of N-(2-ethyl-1-phenylhexyl)formamide (CID 138546224) is N-(2-ethyl-1-phenylhexyl)formamide.
What is the SMILES notation for N-(2-ethyl-1-phenylhexyl)formamide?
The canonical SMILES for N-(2-ethyl-1-phenylhexyl)formamide is CCCCC(CC)C(NC=O)c1ccccc1.
What is the InChIKey of N-(2-ethyl-1-phenylhexyl)formamide?
The InChIKey is PSZNNAIWQJPUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-5-9-13(4-2)15(16-12-17)14-10-7-6-8-11-14/h6-8,10-13,15H,3-5,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2-ethyl-1-phenylhexyl)formamide?
N-(2-ethyl-1-phenylhexyl)formamide has a molecular weight of 233.36 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1-phenylhexyl)formamide is sourced from PubChem (CID 138546224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).