N-(2-butoxyethyl)-N,2,2-trimethylpropanamide

C12H25NO2 — CID 88916539

IUPACN-(2-butoxyethyl)-N,2,2-trimethylpropanamide
SMILESCCCCOCCN(C)C(=O)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-7-9-15-10-8-13(5)11(14)12(2,3)4/h6-10H2,1-5H3
InChIKeyNAIFZIFKIMDKHZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.31
Rot. Bonds6

About N-(2-butoxyethyl)-N,2,2-trimethylpropanamide

N-(2-butoxyethyl)-N,2,2-trimethylpropanamide (PubChem CID 88916539) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-butoxyethyl)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-(2-butoxyethyl)-N,2,2-trimethylpropanamide
PubChem CID88916539
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-(2-butoxyethyl)-N,2,2-trimethylpropanamide
SMILESCCCCOCCN(C)C(=O)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-6-7-9-15-10-8-13(5)11(14)12(2,3)4/h6-10H2,1-5H3
InChIKeyNAIFZIFKIMDKHZ-UHFFFAOYSA-N
XLogP2.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.31
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-(2-butoxyethyl)-N-methylacetamide
CID 155404672
N,2,2-trimethyl-N-[2-(3-methyl-3-sulfanylbutoxy)ethyl]propanamide
CID 166976060
N,2-dimethyl-N-(2-pentoxyethyl)propanamide
CID 163400229
1-butoxybutane;propan-2-one
CID 18424800
tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate
CID 158067322
1-(2-butoxyethoxy)-4,4-dimethylpentan-3-one
CID 88916536
2-(2-butoxyethoxy)ethyl 2,2-dimethylpropanoate
CID 88970613
1-(2-butoxyethoxy)-3,3-dimethylbutan-2-one
CID 43800229
4-O-[2-[2,2-dimethylpropanoyl(methyl)amino]ethyl] 1-O-ethyl (E)-but-2-enedioate
CID 126492245
N-(2-ethoxyethyl)-2-methoxy-N,2-dimethylpropanamide
CID 103896451
acetic acid;1-butoxybutane
CID 22256220
N,N-bis(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 82952265

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-N,2,2-trimethylpropanamide?
The IUPAC name of N-(2-butoxyethyl)-N,2,2-trimethylpropanamide (CID 88916539) is N-(2-butoxyethyl)-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-(2-butoxyethyl)-N,2,2-trimethylpropanamide?
The canonical SMILES for N-(2-butoxyethyl)-N,2,2-trimethylpropanamide is CCCCOCCN(C)C(=O)C(C)(C)C.
What is the InChIKey of N-(2-butoxyethyl)-N,2,2-trimethylpropanamide?
The InChIKey is NAIFZIFKIMDKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-7-9-15-10-8-13(5)11(14)12(2,3)4/h6-10H2,1-5H3.
What are the key properties of N-(2-butoxyethyl)-N,2,2-trimethylpropanamide?
N-(2-butoxyethyl)-N,2,2-trimethylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 88916539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).