N-tert-butyl-2-ethylhexanamide

C12H25NO — CID 3937097

IUPACN-tert-butyl-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C12H25NO/c1-6-8-9-10(7-2)11(14)13-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyYOPDNQVDEHNDLN-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.12
Rot. Bonds5

About N-tert-butyl-2-ethylhexanamide

N-tert-butyl-2-ethylhexanamide (PubChem CID 3937097) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-tert-butyl-2-ethylhexanamide.

Molecular Properties

Compound NameN-tert-butyl-2-ethylhexanamide
PubChem CID3937097
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-tert-butyl-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C12H25NO/c1-6-8-9-10(7-2)11(14)13-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14)
InChIKeyYOPDNQVDEHNDLN-UHFFFAOYSA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-ethylhexanamide?
The IUPAC name of N-tert-butyl-2-ethylhexanamide (CID 3937097) is N-tert-butyl-2-ethylhexanamide.
What is the SMILES notation for N-tert-butyl-2-ethylhexanamide?
The canonical SMILES for N-tert-butyl-2-ethylhexanamide is CCCCC(CC)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-ethylhexanamide?
The InChIKey is YOPDNQVDEHNDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-6-8-9-10(7-2)11(14)13-12(3,4)5/h10H,6-9H2,1-5H3,(H,13,14).
What are the key properties of N-tert-butyl-2-ethylhexanamide?
N-tert-butyl-2-ethylhexanamide has a molecular weight of 199.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-ethylhexanamide is sourced from PubChem (CID 3937097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).