N,N-di(butan-2-yl)-2-ethylbutanamide

C14H29NO — CID 3690709

IUPACN,N-di(butan-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(C(C)CC)C(C)CC
InChIInChI=1S/C14H29NO/c1-7-11(5)15(12(6)8-2)14(16)13(9-3)10-4/h11-13H,7-10H2,1-6H3
InChIKeyLJHZSZHEHKALSQ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.85
Rot. Bonds7

About N,N-di(butan-2-yl)-2-ethylbutanamide

N,N-di(butan-2-yl)-2-ethylbutanamide (PubChem CID 3690709) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N,N-di(butan-2-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN,N-di(butan-2-yl)-2-ethylbutanamide
PubChem CID3690709
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN,N-di(butan-2-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)N(C(C)CC)C(C)CC
InChIInChI=1S/C14H29NO/c1-7-11(5)15(12(6)8-2)14(16)13(9-3)10-4/h11-13H,7-10H2,1-6H3
InChIKeyLJHZSZHEHKALSQ-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-di(butan-2-yl)-2-ethylbutanamide?
The IUPAC name of N,N-di(butan-2-yl)-2-ethylbutanamide (CID 3690709) is N,N-di(butan-2-yl)-2-ethylbutanamide.
What is the SMILES notation for N,N-di(butan-2-yl)-2-ethylbutanamide?
The canonical SMILES for N,N-di(butan-2-yl)-2-ethylbutanamide is CCC(CC)C(=O)N(C(C)CC)C(C)CC.
What is the InChIKey of N,N-di(butan-2-yl)-2-ethylbutanamide?
The InChIKey is LJHZSZHEHKALSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-11(5)15(12(6)8-2)14(16)13(9-3)10-4/h11-13H,7-10H2,1-6H3.
What are the key properties of N,N-di(butan-2-yl)-2-ethylbutanamide?
N,N-di(butan-2-yl)-2-ethylbutanamide has a molecular weight of 227.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(butan-2-yl)-2-ethylbutanamide is sourced from PubChem (CID 3690709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).