N,N-diethyl-4-hexoxybutanamide

C14H29NO2 — CID 176838101

IUPACN,N-diethyl-4-hexoxybutanamide
SMILESCCCCCCOCCCC(=O)N(CC)CC
InChIInChI=1S/C14H29NO2/c1-4-7-8-9-12-17-13-10-11-14(16)15(5-2)6-3/h4-13H2,1-3H3
InChIKeyMJIUCDQSZOORSB-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.23
Rot. Bonds11

About N,N-diethyl-4-hexoxybutanamide

N,N-diethyl-4-hexoxybutanamide (PubChem CID 176838101) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N,N-diethyl-4-hexoxybutanamide.

Molecular Properties

Compound NameN,N-diethyl-4-hexoxybutanamide
PubChem CID176838101
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN,N-diethyl-4-hexoxybutanamide
SMILESCCCCCCOCCCC(=O)N(CC)CC
InChIInChI=1S/C14H29NO2/c1-4-7-8-9-12-17-13-10-11-14(16)15(5-2)6-3/h4-13H2,1-3H3
InChIKeyMJIUCDQSZOORSB-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.23
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-diethyloctadecanamide;propan-1-amine;hydrobromide
CID 174816877
N,N-bis(2-ethoxyethyl)dodecanamide
CID 87526086
2-(2-butoxyethoxy)ethyl 2-[[2-[2-(2-butoxyethoxy)ethoxy]-2-oxoethyl]-hexadecanoylamino]acetate
CID 616142
N-ethyl-3-hexoxy-N-methylpropanamide
CID 87235746
7-hexoxyheptan-2-one
CID 122428493
15-pentoxypentadecanoic acid
CID 89280169
4-nonoxybutan-2-one
CID 175477614
2-[ethyl(hexadecanoyl)amino]acetic acid
CID 86170642
2-[ethyl(pentadecanoyl)amino]acetic acid
CID 139609701
N,N-dimethyl-3-octadecoxypropanamide
CID 155355336
3-butoxy-N,N-diethylpropanamide;N,N-diethyl-3-propan-2-yloxypropanamide
CID 160774026
1-propoxyhenicosan-4-one
CID 157232243

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-hexoxybutanamide?
The IUPAC name of N,N-diethyl-4-hexoxybutanamide (CID 176838101) is N,N-diethyl-4-hexoxybutanamide.
What is the SMILES notation for N,N-diethyl-4-hexoxybutanamide?
The canonical SMILES for N,N-diethyl-4-hexoxybutanamide is CCCCCCOCCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-4-hexoxybutanamide?
The InChIKey is MJIUCDQSZOORSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-7-8-9-12-17-13-10-11-14(16)15(5-2)6-3/h4-13H2,1-3H3.
What are the key properties of N,N-diethyl-4-hexoxybutanamide?
N,N-diethyl-4-hexoxybutanamide has a molecular weight of 243.39 g/mol, XLogP of 3.23, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-hexoxybutanamide is sourced from PubChem (CID 176838101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).