N-(3,3-diethoxypropyl)butanamide

C11H23NO3 — CID 20812854

IUPACN-(3,3-diethoxypropyl)butanamide
SMILESCCCC(=O)NCCC(OCC)OCC
InChIInChI=1S/C11H23NO3/c1-4-7-10(13)12-9-8-11(14-5-2)15-6-3/h11H,4-9H2,1-3H3,(H,12,13)
InChIKeyIPXDQBDIBAIUQQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.69
Rot. Bonds9

About N-(3,3-diethoxypropyl)butanamide

N-(3,3-diethoxypropyl)butanamide (PubChem CID 20812854) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)butanamide.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)butanamide
PubChem CID20812854
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC NameN-(3,3-diethoxypropyl)butanamide
SMILESCCCC(=O)NCCC(OCC)OCC
InChIInChI=1S/C11H23NO3/c1-4-7-10(13)12-9-8-11(14-5-2)15-6-3/h11H,4-9H2,1-3H3,(H,12,13)
InChIKeyIPXDQBDIBAIUQQ-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)butanamide?
The IUPAC name of N-(3,3-diethoxypropyl)butanamide (CID 20812854) is N-(3,3-diethoxypropyl)butanamide.
What is the SMILES notation for N-(3,3-diethoxypropyl)butanamide?
The canonical SMILES for N-(3,3-diethoxypropyl)butanamide is CCCC(=O)NCCC(OCC)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)butanamide?
The InChIKey is IPXDQBDIBAIUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-7-10(13)12-9-8-11(14-5-2)15-6-3/h11H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-(3,3-diethoxypropyl)butanamide?
N-(3,3-diethoxypropyl)butanamide has a molecular weight of 217.31 g/mol, XLogP of 1.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)butanamide is sourced from PubChem (CID 20812854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).