3-butoxy-N,N-dimethylpropanamide

C9H19NO2 — CID 54576648

IUPAC3-butoxy-N,N-dimethylpropanamide
SMILESCCCCOCCC(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-4-5-7-12-8-6-9(11)10(2)3/h4-8H2,1-3H3
InChIKeyLVYXPOCADCXMLP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.28
Rot. Bonds6

About 3-butoxy-N,N-dimethylpropanamide

3-butoxy-N,N-dimethylpropanamide (PubChem CID 54576648) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-butoxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-butoxy-N,N-dimethylpropanamide
PubChem CID54576648
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-butoxy-N,N-dimethylpropanamide
SMILESCCCCOCCC(=O)N(C)C
InChIInChI=1S/C9H19NO2/c1-4-5-7-12-8-6-9(11)10(2)3/h4-8H2,1-3H3
InChIKeyLVYXPOCADCXMLP-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.28
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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Related Compounds

Propanamide, 3-methoxy-N,N-dimethyl-
CID 104427
3-Ethoxy-N,N-diethylpropanamide
CID 63184708
3-ethoxy-N,N-dipropylpropanamide
CID 346805
[3-(Dimethylamino)-3-oxopropyl] acetate
CID 131851081
Propanamide, 3-(hexyloxy)-N,N-dimethyl-
CID 11557491
N,N-Diethyl-3-methoxy-propionamide
CID 11961971
3-methoxy-N,N-dipropylpropanamide
CID 14669956
[3-(Dimethylamino)-3-oxopropyl] propanoate
CID 58544228
3-methoxy-N-(3-methoxypropanoyl)-N-methylpropanamide
CID 59869416
3-ethoxy-N,N-dimethylpropanamide
CID 63184712
N,N-dimethyl-3-propoxypropanamide
CID 64591697
N,N-diethyl-3-propoxypropanamide
CID 64592667

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N,N-dimethylpropanamide?
The IUPAC name of 3-butoxy-N,N-dimethylpropanamide (CID 54576648) is 3-butoxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-butoxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-butoxy-N,N-dimethylpropanamide is CCCCOCCC(=O)N(C)C.
What is the InChIKey of 3-butoxy-N,N-dimethylpropanamide?
The InChIKey is LVYXPOCADCXMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-7-12-8-6-9(11)10(2)3/h4-8H2,1-3H3.
What are the key properties of 3-butoxy-N,N-dimethylpropanamide?
3-butoxy-N,N-dimethylpropanamide has a molecular weight of 173.26 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N,N-dimethylpropanamide is sourced from PubChem (CID 54576648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).