N,N-diethyl-3-hexoxy-2-methylpropanamide

C14H29NO2 — CID 89427289

IUPACN,N-diethyl-3-hexoxy-2-methylpropanamide
SMILESCCCCCCOCC(C)C(=O)N(CC)CC
InChIInChI=1S/C14H29NO2/c1-5-8-9-10-11-17-12-13(4)14(16)15(6-2)7-3/h13H,5-12H2,1-4H3
InChIKeyIKFQRLOXKIGPJU-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.09
Rot. Bonds10

About N,N-diethyl-3-hexoxy-2-methylpropanamide

N,N-diethyl-3-hexoxy-2-methylpropanamide (PubChem CID 89427289) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N,N-diethyl-3-hexoxy-2-methylpropanamide.

Molecular Properties

Compound NameN,N-diethyl-3-hexoxy-2-methylpropanamide
PubChem CID89427289
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN,N-diethyl-3-hexoxy-2-methylpropanamide
SMILESCCCCCCOCC(C)C(=O)N(CC)CC
InChIInChI=1S/C14H29NO2/c1-5-8-9-10-11-17-12-13(4)14(16)15(6-2)7-3/h13H,5-12H2,1-4H3
InChIKeyIKFQRLOXKIGPJU-UHFFFAOYSA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.09
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

3-hexoxy-N,N,2-trimethylpropanamide
CID 89427319
N,N-diethyl-4-hexoxybutanamide
CID 176838101
(2S)-1-octoxypropan-2-ol
CID 55250295
1-tridecoxypropan-2-ol
CID 19798268
1-(2-methylpropoxy)tridecane
CID 91526471
1-(2-methylpropoxy)undecane
CID 58527571
(2S)-2-(2-methylpropoxy)-3-octadecoxypropan-1-ol
CID 163881476
1-butoxypropan-2-ol;1-hexoxypropan-2-ol
CID 158093750
methyl (2R)-3-butoxy-2-methylpropanoate
CID 88918019
3-(2-butoxyethoxy)-2-methylpropanoic acid
CID 43537971
2-[2-(2-dodecoxyethoxy)ethoxymethyl]propanedioic acid
CID 174568583
3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide
CID 89427274

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hexoxy-2-methylpropanamide?
The IUPAC name of N,N-diethyl-3-hexoxy-2-methylpropanamide (CID 89427289) is N,N-diethyl-3-hexoxy-2-methylpropanamide.
What is the SMILES notation for N,N-diethyl-3-hexoxy-2-methylpropanamide?
The canonical SMILES for N,N-diethyl-3-hexoxy-2-methylpropanamide is CCCCCCOCC(C)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-hexoxy-2-methylpropanamide?
The InChIKey is IKFQRLOXKIGPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-8-9-10-11-17-12-13(4)14(16)15(6-2)7-3/h13H,5-12H2,1-4H3.
What are the key properties of N,N-diethyl-3-hexoxy-2-methylpropanamide?
N,N-diethyl-3-hexoxy-2-methylpropanamide has a molecular weight of 243.39 g/mol, XLogP of 3.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hexoxy-2-methylpropanamide is sourced from PubChem (CID 89427289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).