N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane

C16H33NO2 — CID 143418595

IUPACN-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane
SMILESCC.CCC(CC)CC(=O)NC(C(C)=O)C(C)(C)C
InChIInChI=1S/C14H27NO2.C2H6/c1-7-11(8-2)9-12(17)15-13(10(3)16)14(4,5)6;1-2/h11,13H,7-9H2,1-6H3,(H,15,17);1-2H3
InChIKeyZBRRQAHLIOHZLO-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.96
Rot. Bonds6

About N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane

N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane (PubChem CID 143418595) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane.

Molecular Properties

Compound NameN-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane
PubChem CID143418595
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane
SMILESCC.CCC(CC)CC(=O)NC(C(C)=O)C(C)(C)C
InChIInChI=1S/C14H27NO2.C2H6/c1-7-11(8-2)9-12(17)15-13(10(3)16)14(4,5)6;1-2/h11,13H,7-9H2,1-6H3,(H,15,17);1-2H3
InChIKeyZBRRQAHLIOHZLO-UHFFFAOYSA-N
XLogP3.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclo[DL-Leu-DL-Leu-DL-xiIle-DL-Leu-DL-xiIle]
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Ac-Ile-Leu-Gly-NHBu
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Halolitoralin B
CID 132493269
Clavatustide C
CID 139588331
Leucyl-valyl-isoleucinamide
CID 3082869
(2S,3S)-N-[(2S,3S)-1-[[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(propanoylamino)pentanamide
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CID 11379871

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane?
The IUPAC name of N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane (CID 143418595) is N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane.
What is the SMILES notation for N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane?
The canonical SMILES for N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane is CC.CCC(CC)CC(=O)NC(C(C)=O)C(C)(C)C.
What is the InChIKey of N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane?
The InChIKey is ZBRRQAHLIOHZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.C2H6/c1-7-11(8-2)9-12(17)15-13(10(3)16)14(4,5)6;1-2/h11,13H,7-9H2,1-6H3,(H,15,17);1-2H3.
What are the key properties of N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane?
N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane has a molecular weight of 271.44 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-4-oxopentan-3-yl)-3-ethylpentanamide;ethane is sourced from PubChem (CID 143418595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).