N-butan-2-yl-2-ethyl-N-methylhexanamide

C13H27NO — CID 20700541

IUPACN-butan-2-yl-2-ethyl-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)C(C)CC
InChIInChI=1S/C13H27NO/c1-6-9-10-12(8-3)13(15)14(5)11(4)7-2/h11-12H,6-10H2,1-5H3
InChIKeySLQYGCYANJDGAW-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.46
Rot. Bonds7

About N-butan-2-yl-2-ethyl-N-methylhexanamide

N-butan-2-yl-2-ethyl-N-methylhexanamide (PubChem CID 20700541) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-butan-2-yl-2-ethyl-N-methylhexanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-ethyl-N-methylhexanamide
PubChem CID20700541
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-butan-2-yl-2-ethyl-N-methylhexanamide
SMILESCCCCC(CC)C(=O)N(C)C(C)CC
InChIInChI=1S/C13H27NO/c1-6-9-10-12(8-3)13(15)14(5)11(4)7-2/h11-12H,6-10H2,1-5H3
InChIKeySLQYGCYANJDGAW-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-ethyl-N-methylhexanamide?
The IUPAC name of N-butan-2-yl-2-ethyl-N-methylhexanamide (CID 20700541) is N-butan-2-yl-2-ethyl-N-methylhexanamide.
What is the SMILES notation for N-butan-2-yl-2-ethyl-N-methylhexanamide?
The canonical SMILES for N-butan-2-yl-2-ethyl-N-methylhexanamide is CCCCC(CC)C(=O)N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-2-ethyl-N-methylhexanamide?
The InChIKey is SLQYGCYANJDGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-9-10-12(8-3)13(15)14(5)11(4)7-2/h11-12H,6-10H2,1-5H3.
What are the key properties of N-butan-2-yl-2-ethyl-N-methylhexanamide?
N-butan-2-yl-2-ethyl-N-methylhexanamide has a molecular weight of 213.36 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-ethyl-N-methylhexanamide is sourced from PubChem (CID 20700541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).