3-(3-methylheptoxy)propanamide

C11H23NO2 — CID 166649066

IUPAC3-(3-methylheptoxy)propanamide
SMILESCCCCC(C)CCOCCC(N)=O
InChIInChI=1S/C11H23NO2/c1-3-4-5-10(2)6-8-14-9-7-11(12)13/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyXTOWEFRAXKYQOC-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.09
Rot. Bonds9

About 3-(3-methylheptoxy)propanamide

3-(3-methylheptoxy)propanamide (PubChem CID 166649066) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-(3-methylheptoxy)propanamide.

Molecular Properties

Compound Name3-(3-methylheptoxy)propanamide
PubChem CID166649066
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-(3-methylheptoxy)propanamide
SMILESCCCCC(C)CCOCCC(N)=O
InChIInChI=1S/C11H23NO2/c1-3-4-5-10(2)6-8-14-9-7-11(12)13/h10H,3-9H2,1-2H3,(H2,12,13)
InChIKeyXTOWEFRAXKYQOC-UHFFFAOYSA-N
XLogP2.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-butoxypropanamide;ethane
CID 176554640
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
3-dodecoxypropanamide
CID 22235134
3-dodecoxypropanamide;hydrobromide
CID 175357705
3-methyl-1-(3-methylnonadecoxy)nonadecane
CID 88819988
3-methylheptyl carbonochloridate
CID 20702686
bis(4-methyloctyl) butanedioate
CID 177339681
3-methylheptyl octadecanoate
CID 174610316
2-methylhexyl 3-ethoxypropanoate
CID 134561556
21-methyldotetracontanediamide
CID 87333254
bis(3-methyltetradecyl) hexanedioate
CID 177339640
4-methyloctyl octanoate
CID 177339666

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylheptoxy)propanamide?
The IUPAC name of 3-(3-methylheptoxy)propanamide (CID 166649066) is 3-(3-methylheptoxy)propanamide.
What is the SMILES notation for 3-(3-methylheptoxy)propanamide?
The canonical SMILES for 3-(3-methylheptoxy)propanamide is CCCCC(C)CCOCCC(N)=O.
What is the InChIKey of 3-(3-methylheptoxy)propanamide?
The InChIKey is XTOWEFRAXKYQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-5-10(2)6-8-14-9-7-11(12)13/h10H,3-9H2,1-2H3,(H2,12,13).
What are the key properties of 3-(3-methylheptoxy)propanamide?
3-(3-methylheptoxy)propanamide has a molecular weight of 201.31 g/mol, XLogP of 2.09, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylheptoxy)propanamide is sourced from PubChem (CID 166649066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).