N-(2-ethylhexyl)pentanamide

C13H27NO — CID 2930605

IUPACN-(2-ethylhexyl)pentanamide
SMILESCCCCC(=O)NCC(CC)CCCC
InChIInChI=1S/C13H27NO/c1-4-7-9-12(6-3)11-14-13(15)10-8-5-2/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyDDCHZGHPXAAQOZ-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.51
Rot. Bonds9

About N-(2-ethylhexyl)pentanamide

N-(2-ethylhexyl)pentanamide (PubChem CID 2930605) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2-ethylhexyl)pentanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)pentanamide
PubChem CID2930605
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2-ethylhexyl)pentanamide
SMILESCCCCC(=O)NCC(CC)CCCC
InChIInChI=1S/C13H27NO/c1-4-7-9-12(6-3)11-14-13(15)10-8-5-2/h12H,4-11H2,1-3H3,(H,14,15)
InChIKeyDDCHZGHPXAAQOZ-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

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Related Compounds

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CID 82502
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N-butylhexanamide
CID 252522
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)pentanamide?
The IUPAC name of N-(2-ethylhexyl)pentanamide (CID 2930605) is N-(2-ethylhexyl)pentanamide.
What is the SMILES notation for N-(2-ethylhexyl)pentanamide?
The canonical SMILES for N-(2-ethylhexyl)pentanamide is CCCCC(=O)NCC(CC)CCCC.
What is the InChIKey of N-(2-ethylhexyl)pentanamide?
The InChIKey is DDCHZGHPXAAQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-7-9-12(6-3)11-14-13(15)10-8-5-2/h12H,4-11H2,1-3H3,(H,14,15).
What are the key properties of N-(2-ethylhexyl)pentanamide?
N-(2-ethylhexyl)pentanamide 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 N-(2-ethylhexyl)pentanamide is sourced from PubChem (CID 2930605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).