N-ethyl-3-hexoxy-N-methylpropanamide

C12H25NO2 — CID 87235746

IUPACN-ethyl-3-hexoxy-N-methylpropanamide
SMILESCCCCCCOCCC(=O)N(C)CC
InChIInChI=1S/C12H25NO2/c1-4-6-7-8-10-15-11-9-12(14)13(3)5-2/h4-11H2,1-3H3
InChIKeyFIRKYSALROGVEN-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.45
Rot. Bonds9

About N-ethyl-3-hexoxy-N-methylpropanamide

N-ethyl-3-hexoxy-N-methylpropanamide (PubChem CID 87235746) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-3-hexoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-hexoxy-N-methylpropanamide
PubChem CID87235746
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-3-hexoxy-N-methylpropanamide
SMILESCCCCCCOCCC(=O)N(C)CC
InChIInChI=1S/C12H25NO2/c1-4-6-7-8-10-15-11-9-12(14)13(3)5-2/h4-11H2,1-3H3
InChIKeyFIRKYSALROGVEN-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.45
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

N,N-dimethyl-3-octadecoxypropanamide
CID 155355336
N-ethyl-N-methyl-3-propoxypropanamide
CID 87235290
4-nonoxybutan-2-one
CID 175477614
3-(2-aminoethoxy)-N-ethyl-N-methylpropanamide
CID 162436526
3-hexoxy-N,N-di(propan-2-yl)propanamide
CID 87235356
N,N-diethyl-4-hexoxybutanamide
CID 176838101
1-hexoxypentan-3-one
CID 88538290
3-dodecoxypropanamide
CID 22235134
3-(2-heptoxyethoxy)propanoic acid
CID 71368458
3-dodecoxypropanamide;hydrobromide
CID 175357705
1,4-dioctoxybutan-2-one
CID 71375550
hexyl 3-heptoxypropanoate
CID 101325522

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hexoxy-N-methylpropanamide?
The IUPAC name of N-ethyl-3-hexoxy-N-methylpropanamide (CID 87235746) is N-ethyl-3-hexoxy-N-methylpropanamide.
What is the SMILES notation for N-ethyl-3-hexoxy-N-methylpropanamide?
The canonical SMILES for N-ethyl-3-hexoxy-N-methylpropanamide is CCCCCCOCCC(=O)N(C)CC.
What is the InChIKey of N-ethyl-3-hexoxy-N-methylpropanamide?
The InChIKey is FIRKYSALROGVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-6-7-8-10-15-11-9-12(14)13(3)5-2/h4-11H2,1-3H3.
What are the key properties of N-ethyl-3-hexoxy-N-methylpropanamide?
N-ethyl-3-hexoxy-N-methylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 2.45, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-hexoxy-N-methylpropanamide is sourced from PubChem (CID 87235746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).