3-butoxypropanamide;ethane

C9H21NO2 — CID 176554640

IUPAC3-butoxypropanamide;ethane
SMILESCC.CCCCOCCC(N)=O
InChIInChI=1S/C7H15NO2.C2H6/c1-2-3-5-10-6-4-7(8)9;1-2/h2-6H2,1H3,(H2,8,9);1-2H3
InChIKeyRCVXZNXGKDIGGL-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.70
Rot. Bonds6

About 3-butoxypropanamide;ethane

3-butoxypropanamide;ethane (PubChem CID 176554640) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-butoxypropanamide;ethane.

Molecular Properties

Compound Name3-butoxypropanamide;ethane
PubChem CID176554640
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-butoxypropanamide;ethane
SMILESCC.CCCCOCCC(N)=O
InChIInChI=1S/C7H15NO2.C2H6/c1-2-3-5-10-6-4-7(8)9;1-2/h2-6H2,1H3,(H2,8,9);1-2H3
InChIKeyRCVXZNXGKDIGGL-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.70
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-dodecoxypropanamide
CID 22235134
3-dodecoxypropanamide;hydrobromide
CID 175357705
3-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]propanamide
CID 138616319
ethane;3-[4-(2-methoxyethoxy)butoxy]propanamide
CID 177319137
3-(3-bromopropoxy)propanamide
CID 87796003
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
3-(3-methylheptoxy)propanamide
CID 166649066
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
CID 89154469
2-[2-(2-octoxyethoxy)ethoxy]acetamide
CID 57274402
1-butoxybutane;propan-2-one
CID 18424800
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87841701
2-tridecoxyacetamide
CID 54483018

Frequently Asked Questions

What is the IUPAC name of 3-butoxypropanamide;ethane?
The IUPAC name of 3-butoxypropanamide;ethane (CID 176554640) is 3-butoxypropanamide;ethane.
What is the SMILES notation for 3-butoxypropanamide;ethane?
The canonical SMILES for 3-butoxypropanamide;ethane is CC.CCCCOCCC(N)=O.
What is the InChIKey of 3-butoxypropanamide;ethane?
The InChIKey is RCVXZNXGKDIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C2H6/c1-2-3-5-10-6-4-7(8)9;1-2/h2-6H2,1H3,(H2,8,9);1-2H3.
What are the key properties of 3-butoxypropanamide;ethane?
3-butoxypropanamide;ethane has a molecular weight of 175.27 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxypropanamide;ethane is sourced from PubChem (CID 176554640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).