3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide

C21H44N2O4 — CID 160774026

IUPAC3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide
SMILESCCCCOCCC(=O)N(CC)CC.CCN(CC)C(=O)CCOC(C)C
InChIInChI=1S/C11H23NO2.C10H21NO2/c1-4-7-9-14-10-8-11(13)12(5-2)6-3;1-5-11(6-2)10(12)7-8-13-9(3)4/h4-10H2,1-3H3;9H,5-8H2,1-4H3
InChIKeyRZRWTBPDKRHUKV-UHFFFAOYSA-N
MW388.59 g/mol
LogP3.73
Rot. Bonds14

About 3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide

3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide (PubChem CID 160774026) has the molecular formula C21H44N2O4 and a molecular weight of 388.59 g/mol. Its IUPAC name is 3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide.

Molecular Properties

Compound Name3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide
PubChem CID160774026
Molecular FormulaC21H44N2O4
Molecular Weight388.59 g/mol
Exact Mass388.33
IUPAC Name3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide
SMILESCCCCOCCC(=O)N(CC)CC.CCN(CC)C(=O)CCOC(C)C
InChIInChI=1S/C11H23NO2.C10H21NO2/c1-4-7-9-14-10-8-11(13)12(5-2)6-3;1-5-11(6-2)10(12)7-8-13-9(3)4/h4-10H2,1-3H3;9H,5-8H2,1-4H3
InChIKeyRZRWTBPDKRHUKV-UHFFFAOYSA-N
XLogP3.73
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.59
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-4-hexoxybutanamide
CID 176838101
1-[2-(2-propan-2-yloxyethoxy)ethoxy]butane
CID 71356467
3-butoxy-N,N-dimethylpropanamide;3-methoxy-N,N-dimethylpropanamide
CID 141458250
3-hexoxy-N,N-di(propan-2-yl)propanamide
CID 87235356
N-ethyl-3-hexoxy-N-methylpropanamide
CID 87235746
N,N-dimethyl-3-octadecoxypropanamide
CID 155355336
N-(2-aminoethyl)-N-ethyl-3-propoxypropanamide
CID 62688574
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
2-(2-butoxyethoxy)ethyl 2-[[2-[2-(2-butoxyethoxy)ethoxy]-2-oxoethyl]-hexadecanoylamino]acetate
CID 616142
dodecyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469697
octyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469565
heptyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121470147

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide?
The IUPAC name of 3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide (CID 160774026) is 3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide.
What is the SMILES notation for 3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide?
The canonical SMILES for 3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide is CCCCOCCC(=O)N(CC)CC.CCN(CC)C(=O)CCOC(C)C.
What is the InChIKey of 3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide?
The InChIKey is RZRWTBPDKRHUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.C10H21NO2/c1-4-7-9-14-10-8-11(13)12(5-2)6-3;1-5-11(6-2)10(12)7-8-13-9(3)4/h4-10H2,1-3H3;9H,5-8H2,1-4H3.
What are the key properties of 3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide?
3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide has a molecular weight of 388.59 g/mol, XLogP of 3.73, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide is sourced from PubChem (CID 160774026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).