N-(4-ethoxy-2-methylbutan-2-yl)pentanamide

C12H25NO2 — CID 155179920

IUPACN-(4-ethoxy-2-methylbutan-2-yl)pentanamide
SMILESCCCCC(=O)NC(C)(C)CCOCC
InChIInChI=1S/C12H25NO2/c1-5-7-8-11(14)13-12(3,4)9-10-15-6-2/h5-10H2,1-4H3,(H,13,14)
InChIKeyDBPAURDPFLPPCJ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.50
Rot. Bonds8

About N-(4-ethoxy-2-methylbutan-2-yl)pentanamide

N-(4-ethoxy-2-methylbutan-2-yl)pentanamide (PubChem CID 155179920) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(4-ethoxy-2-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound NameN-(4-ethoxy-2-methylbutan-2-yl)pentanamide
PubChem CID155179920
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(4-ethoxy-2-methylbutan-2-yl)pentanamide
SMILESCCCCC(=O)NC(C)(C)CCOCC
InChIInChI=1S/C12H25NO2/c1-5-7-8-11(14)13-12(3,4)9-10-15-6-2/h5-10H2,1-4H3,(H,13,14)
InChIKeyDBPAURDPFLPPCJ-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-2-methylbutan-2-yl)pentanamide?
The IUPAC name of N-(4-ethoxy-2-methylbutan-2-yl)pentanamide (CID 155179920) is N-(4-ethoxy-2-methylbutan-2-yl)pentanamide.
What is the SMILES notation for N-(4-ethoxy-2-methylbutan-2-yl)pentanamide?
The canonical SMILES for N-(4-ethoxy-2-methylbutan-2-yl)pentanamide is CCCCC(=O)NC(C)(C)CCOCC.
What is the InChIKey of N-(4-ethoxy-2-methylbutan-2-yl)pentanamide?
The InChIKey is DBPAURDPFLPPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-8-11(14)13-12(3,4)9-10-15-6-2/h5-10H2,1-4H3,(H,13,14).
What are the key properties of N-(4-ethoxy-2-methylbutan-2-yl)pentanamide?
N-(4-ethoxy-2-methylbutan-2-yl)pentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-2-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 155179920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).