(2S)-2-ethyl-3,5-dimethylheptanamide

C11H23NO — CID 143378708

IUPAC(2S)-2-ethyl-3,5-dimethylheptanamide
SMILESCCC(C)CC(C)C(CC)C(N)=O
InChIInChI=1S/C11H23NO/c1-5-8(3)7-9(4)10(6-2)11(12)13/h8-10H,5-7H2,1-4H3,(H2,12,13)
InChIKeyKCEIYTXGCAGJJA-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.57
Rot. Bonds6

About (2S)-2-ethyl-3,5-dimethylheptanamide

(2S)-2-ethyl-3,5-dimethylheptanamide (PubChem CID 143378708) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S)-2-ethyl-3,5-dimethylheptanamide.

Molecular Properties

Compound Name(2S)-2-ethyl-3,5-dimethylheptanamide
PubChem CID143378708
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S)-2-ethyl-3,5-dimethylheptanamide
SMILESCCC(C)CC(C)C(CC)C(N)=O
InChIInChI=1S/C11H23NO/c1-5-8(3)7-9(4)10(6-2)11(12)13/h8-10H,5-7H2,1-4H3,(H2,12,13)
InChIKeyKCEIYTXGCAGJJA-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-acetyl-2-ethyl-6-methyloctanamide
CID 58825488
2-butan-2-ylbutanediamide
CID 87535883
butane-1,2,3,4-tetracarboxylic acid;tetrakis(2,4-dimethylhexanamide)
CID 173380507
(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide
CID 58071164
2-butan-2-yl-5-methylhexanamide
CID 174491174
(5R)-2,3,5-trimethylheptane
CID 59882960
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
3-hydroxy-2,4,6-trimethyloctanoic acid
CID 14753157
3-azido-2-ethylpentanamide
CID 152730747
ethyl (2R,4R)-2,4-dimethylhexanoate
CID 143853541
(2S)-2-amino-3-methylpentanamide
CID 10290817
carbonic acid;3-methylpentane-1,1-diol
CID 87689978

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-3,5-dimethylheptanamide?
The IUPAC name of (2S)-2-ethyl-3,5-dimethylheptanamide (CID 143378708) is (2S)-2-ethyl-3,5-dimethylheptanamide.
What is the SMILES notation for (2S)-2-ethyl-3,5-dimethylheptanamide?
The canonical SMILES for (2S)-2-ethyl-3,5-dimethylheptanamide is CCC(C)CC(C)C(CC)C(N)=O.
What is the InChIKey of (2S)-2-ethyl-3,5-dimethylheptanamide?
The InChIKey is KCEIYTXGCAGJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-8(3)7-9(4)10(6-2)11(12)13/h8-10H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of (2S)-2-ethyl-3,5-dimethylheptanamide?
(2S)-2-ethyl-3,5-dimethylheptanamide has a molecular weight of 185.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-3,5-dimethylheptanamide is sourced from PubChem (CID 143378708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).