N-butan-2-yl-N-ethyl-3-methylbutanamide

C11H23NO — CID 142558393

IUPACN-butan-2-yl-N-ethyl-3-methylbutanamide
SMILESCCC(C)N(CC)C(=O)CC(C)C
InChIInChI=1S/C11H23NO/c1-6-10(5)12(7-2)11(13)8-9(3)4/h9-10H,6-8H2,1-5H3
InChIKeyWXECGAPBLJTUQE-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.68
Rot. Bonds5

About N-butan-2-yl-N-ethyl-3-methylbutanamide

N-butan-2-yl-N-ethyl-3-methylbutanamide (PubChem CID 142558393) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-butan-2-yl-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound NameN-butan-2-yl-N-ethyl-3-methylbutanamide
PubChem CID142558393
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-butan-2-yl-N-ethyl-3-methylbutanamide
SMILESCCC(C)N(CC)C(=O)CC(C)C
InChIInChI=1S/C11H23NO/c1-6-10(5)12(7-2)11(13)8-9(3)4/h9-10H,6-8H2,1-5H3
InChIKeyWXECGAPBLJTUQE-UHFFFAOYSA-N
XLogP2.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.68
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-N-ethyl-3-methylbutanamide?
The IUPAC name of N-butan-2-yl-N-ethyl-3-methylbutanamide (CID 142558393) is N-butan-2-yl-N-ethyl-3-methylbutanamide.
What is the SMILES notation for N-butan-2-yl-N-ethyl-3-methylbutanamide?
The canonical SMILES for N-butan-2-yl-N-ethyl-3-methylbutanamide is CCC(C)N(CC)C(=O)CC(C)C.
What is the InChIKey of N-butan-2-yl-N-ethyl-3-methylbutanamide?
The InChIKey is WXECGAPBLJTUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-10(5)12(7-2)11(13)8-9(3)4/h9-10H,6-8H2,1-5H3.
What are the key properties of N-butan-2-yl-N-ethyl-3-methylbutanamide?
N-butan-2-yl-N-ethyl-3-methylbutanamide has a molecular weight of 185.31 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 142558393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).