4-ethyl-5-methylheptanamide

C10H21NO — CID 547893

IUPAC4-ethyl-5-methylheptanamide
SMILESCCC(C)C(CC)CCC(N)=O
InChIInChI=1S/C10H21NO/c1-4-8(3)9(5-2)6-7-10(11)12/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyJSWXHXFLMOHNGR-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.32
Rot. Bonds6

About 4-ethyl-5-methylheptanamide

4-ethyl-5-methylheptanamide (PubChem CID 547893) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 4-ethyl-5-methylheptanamide.

Molecular Properties

Compound Name4-ethyl-5-methylheptanamide
PubChem CID547893
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name4-ethyl-5-methylheptanamide
SMILESCCC(C)C(CC)CCC(N)=O
InChIInChI=1S/C10H21NO/c1-4-8(3)9(5-2)6-7-10(11)12/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyJSWXHXFLMOHNGR-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Valpromide
CID 71113
Valnoctamide
CID 20140
2-Ethylhexanamide
CID 20125
Cyclohexanecarboxamide
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Cyclohexaneacetamide
CID 95078
2-Ethylpentanamide
CID 203120
2-Ethyl-4-methylpentanamide
CID 182978
4-Methyl-2-propan-2-ylpentanamide
CID 20707220
4-Methyl-2-propylpentanamide
CID 44550481
3-Methyl-2-propan-2-ylpentanamide
CID 44550482
Sec-butyl-propylacetamide
CID 44550483
2-Tert-butylpentanamide
CID 44550484

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methylheptanamide?
The IUPAC name of 4-ethyl-5-methylheptanamide (CID 547893) is 4-ethyl-5-methylheptanamide.
What is the SMILES notation for 4-ethyl-5-methylheptanamide?
The canonical SMILES for 4-ethyl-5-methylheptanamide is CCC(C)C(CC)CCC(N)=O.
What is the InChIKey of 4-ethyl-5-methylheptanamide?
The InChIKey is JSWXHXFLMOHNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-8(3)9(5-2)6-7-10(11)12/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 4-ethyl-5-methylheptanamide?
4-ethyl-5-methylheptanamide has a molecular weight of 171.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methylheptanamide is sourced from PubChem (CID 547893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).