N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide

C16H33NO — CID 54574815

IUPACN-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide
SMILESCCC(CC)C(C)N(CC)C(=O)C(C)CC(C)C
InChIInChI=1S/C16H33NO/c1-8-15(9-2)14(7)17(10-3)16(18)13(6)11-12(4)5/h12-15H,8-11H2,1-7H3
InChIKeyZZVFMVRFVZTOKA-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.34
Rot. Bonds8

About N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide

N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide (PubChem CID 54574815) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide.

Molecular Properties

Compound NameN-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide
PubChem CID54574815
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide
SMILESCCC(CC)C(C)N(CC)C(=O)C(C)CC(C)C
InChIInChI=1S/C16H33NO/c1-8-15(9-2)14(7)17(10-3)16(18)13(6)11-12(4)5/h12-15H,8-11H2,1-7H3
InChIKeyZZVFMVRFVZTOKA-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide?
The IUPAC name of N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide (CID 54574815) is N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide.
What is the SMILES notation for N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide?
The canonical SMILES for N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide is CCC(CC)C(C)N(CC)C(=O)C(C)CC(C)C.
What is the InChIKey of N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide?
The InChIKey is ZZVFMVRFVZTOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-8-15(9-2)14(7)17(10-3)16(18)13(6)11-12(4)5/h12-15H,8-11H2,1-7H3.
What are the key properties of N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide?
N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide has a molecular weight of 255.45 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide is sourced from PubChem (CID 54574815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).