N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide

C11H21NO2 — CID 103855692

IUPACN-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
SMILESC=CCCOCCNC(=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-8-14-9-7-12-10(13)11(2,3)4/h5H,1,6-9H2,2-4H3,(H,12,13)
InChIKeyIFVSIQATYBXHTK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.74
Rot. Bonds6

About N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide

N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide (PubChem CID 103855692) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
PubChem CID103855692
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide
SMILESC=CCCOCCNC(=O)C(C)(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-8-14-9-7-12-10(13)11(2,3)4/h5H,1,6-9H2,2-4H3,(H,12,13)
InChIKeyIFVSIQATYBXHTK-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(2-but-3-enoxyethyl)-3,3,3-trifluoro-2-methylpropanamide
CID 106398035
N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 156551208
1-(2-but-3-enoxyethyl)-3-methylurea
CID 103852773
2-but-3-enoxyethylurea
CID 103852774
4-amino-N-(2-but-3-enoxyethyl)-4-methylpentanamide
CID 106398026
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
2-(2-but-3-enoxyethylcarbamoylamino)-2-methylbutanoic acid
CID 106405065
N-(2-but-3-enoxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 106398324
2-(2-but-3-enoxyethylcarbamoylamino)-3,3,3-trifluoro-2-methylpropanoic acid
CID 106405118
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
2-(2-but-3-enoxyethylcarbamoylamino)-2-ethylbutanoic acid
CID 106404920
N-[2-[2-[3-(2-acetamidoethylamino)-3-oxopropoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 167096270

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide (CID 103855692) is N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide is C=CCCOCCNC(=O)C(C)(C)C.
What is the InChIKey of N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide?
The InChIKey is IFVSIQATYBXHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-8-14-9-7-12-10(13)11(2,3)4/h5H,1,6-9H2,2-4H3,(H,12,13).
What are the key properties of N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide?
N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide has a molecular weight of 199.29 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 103855692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).