N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide

C13H27NO — CID 3016606

IUPACN-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide
SMILESCCNC(=O)C(C)(CC(C)C)CC(C)C
InChIInChI=1S/C13H27NO/c1-7-14-12(15)13(6,8-10(2)3)9-11(4)5/h10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyZPWOHLYYRKICAA-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.22
Rot. Bonds6

About N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide

N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide (PubChem CID 3016606) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide.

Molecular Properties

Compound NameN-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide
PubChem CID3016606
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide
SMILESCCNC(=O)C(C)(CC(C)C)CC(C)C
InChIInChI=1S/C13H27NO/c1-7-14-12(15)13(6,8-10(2)3)9-11(4)5/h10-11H,7-9H2,1-6H3,(H,14,15)
InChIKeyZPWOHLYYRKICAA-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide?
The IUPAC name of N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide (CID 3016606) is N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide.
What is the SMILES notation for N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide?
The canonical SMILES for N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide is CCNC(=O)C(C)(CC(C)C)CC(C)C.
What is the InChIKey of N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide?
The InChIKey is ZPWOHLYYRKICAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-7-14-12(15)13(6,8-10(2)3)9-11(4)5/h10-11H,7-9H2,1-6H3,(H,14,15).
What are the key properties of N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide?
N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide has a molecular weight of 213.36 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4-dimethyl-2-(2-methylpropyl)pentanamide is sourced from PubChem (CID 3016606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).