4-ethoxy-N,N-dimethylbutanamide

C8H17NO2 — CID 112728034

IUPAC4-ethoxy-N,N-dimethylbutanamide
SMILESCCOCCCC(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-11-7-5-6-8(10)9(2)3/h4-7H2,1-3H3
InChIKeyDIDKOLUSNPOMFH-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds5

About 4-ethoxy-N,N-dimethylbutanamide

4-ethoxy-N,N-dimethylbutanamide (PubChem CID 112728034) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-ethoxy-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-ethoxy-N,N-dimethylbutanamide
PubChem CID112728034
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-ethoxy-N,N-dimethylbutanamide
SMILESCCOCCCC(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-11-7-5-6-8(10)9(2)3/h4-7H2,1-3H3
InChIKeyDIDKOLUSNPOMFH-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N,N-dimethylbutanamide?
The IUPAC name of 4-ethoxy-N,N-dimethylbutanamide (CID 112728034) is 4-ethoxy-N,N-dimethylbutanamide.
What is the SMILES notation for 4-ethoxy-N,N-dimethylbutanamide?
The canonical SMILES for 4-ethoxy-N,N-dimethylbutanamide is CCOCCCC(=O)N(C)C.
What is the InChIKey of 4-ethoxy-N,N-dimethylbutanamide?
The InChIKey is DIDKOLUSNPOMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-11-7-5-6-8(10)9(2)3/h4-7H2,1-3H3.
What are the key properties of 4-ethoxy-N,N-dimethylbutanamide?
4-ethoxy-N,N-dimethylbutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N,N-dimethylbutanamide is sourced from PubChem (CID 112728034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).