2-ethyl-N-pentylhexanamide

C13H27NO — CID 5123867

IUPAC2-ethyl-N-pentylhexanamide
SMILESCCCCCNC(=O)C(CC)CCCC
InChIInChI=1S/C13H27NO/c1-4-7-9-11-14-13(15)12(6-3)10-8-5-2/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyNTDQFRAERBYXRW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.51
Rot. Bonds9

About 2-ethyl-N-pentylhexanamide

2-ethyl-N-pentylhexanamide (PubChem CID 5123867) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-ethyl-N-pentylhexanamide.

Molecular Properties

Compound Name2-ethyl-N-pentylhexanamide
PubChem CID5123867
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-ethyl-N-pentylhexanamide
SMILESCCCCCNC(=O)C(CC)CCCC
InChIInChI=1S/C13H27NO/c1-4-7-9-11-14-13(15)12(6-3)10-8-5-2/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyNTDQFRAERBYXRW-UHFFFAOYSA-N
XLogP3.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-ethyl-N-undecylpentanamide
CID 160695439
N-(6-bromohexyl)-2-ethylhexanamide
CID 107847533
N-octadecyl-2-octylicosanamide
CID 154636535
2-ethyl-N-(5-hydroxy-4-methylpentyl)hexanamide
CID 113340854
N-(4-azidobutyl)-2-ethylhexanamide
CID 106386552
N-(2-cyanoethyl)-2-ethylhexanamide
CID 62666386
6-(2-butyloctanoylamino)hexanoic acid
CID 175445274
octadecylcarbamoyl 2-ethylhexanoate
CID 18352248
2-ethyl-N-[2-(2-hydroxypropylamino)ethyl]hexanamide
CID 113430445
(2S)-2-ethylhexanehydrazide
CID 40549650
2-ethyl-N-(3-ethyl-2-hydroxypentyl)hexanamide
CID 103770593

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-pentylhexanamide?
The IUPAC name of 2-ethyl-N-pentylhexanamide (CID 5123867) is 2-ethyl-N-pentylhexanamide.
What is the SMILES notation for 2-ethyl-N-pentylhexanamide?
The canonical SMILES for 2-ethyl-N-pentylhexanamide is CCCCCNC(=O)C(CC)CCCC.
What is the InChIKey of 2-ethyl-N-pentylhexanamide?
The InChIKey is NTDQFRAERBYXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-9-11-14-13(15)12(6-3)10-8-5-2/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-N-pentylhexanamide?
2-ethyl-N-pentylhexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-pentylhexanamide is sourced from PubChem (CID 5123867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).