2-butoxy-N,N-dimethylacetamide

C8H17NO2 — CID 87275095

IUPAC2-butoxy-N,N-dimethylacetamide
SMILESCCCCOCC(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-6-11-7-8(10)9(2)3/h4-7H2,1-3H3
InChIKeyAKETTWUDLBCMKE-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.89
Rot. Bonds5

About 2-butoxy-N,N-dimethylacetamide

2-butoxy-N,N-dimethylacetamide (PubChem CID 87275095) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-butoxy-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-butoxy-N,N-dimethylacetamide
PubChem CID87275095
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-butoxy-N,N-dimethylacetamide
SMILESCCCCOCC(=O)N(C)C
InChIInChI=1S/C8H17NO2/c1-4-5-6-11-7-8(10)9(2)3/h4-7H2,1-3H3
InChIKeyAKETTWUDLBCMKE-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 2-butoxy-N,N-dimethylacetamide?
The IUPAC name of 2-butoxy-N,N-dimethylacetamide (CID 87275095) is 2-butoxy-N,N-dimethylacetamide.
What is the SMILES notation for 2-butoxy-N,N-dimethylacetamide?
The canonical SMILES for 2-butoxy-N,N-dimethylacetamide is CCCCOCC(=O)N(C)C.
What is the InChIKey of 2-butoxy-N,N-dimethylacetamide?
The InChIKey is AKETTWUDLBCMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-5-6-11-7-8(10)9(2)3/h4-7H2,1-3H3.
What are the key properties of 2-butoxy-N,N-dimethylacetamide?
2-butoxy-N,N-dimethylacetamide 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 2-butoxy-N,N-dimethylacetamide is sourced from PubChem (CID 87275095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).