N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide

C11H21NO2 — CID 112725970

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
SMILESCC=CC(=O)N(CCOC)CC(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-11(13)12(7-8-14-4)9-10(2)3/h5-6,10H,7-9H2,1-4H3
InChIKeyTTWZGUCIGDOHQK-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds6

About N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide

N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide (PubChem CID 112725970) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
PubChem CID112725970
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
SMILESCC=CC(=O)N(CCOC)CC(C)C
InChIInChI=1S/C11H21NO2/c1-5-6-11(13)12(7-8-14-4)9-10(2)3/h5-6,10H,7-9H2,1-4H3
InChIKeyTTWZGUCIGDOHQK-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466
2-bromo-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 114328153
4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 78884888
2-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)butanamide
CID 62473959
N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)butanamide
CID 78854118
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-(2-methylpropyl)butanamide
CID 61162971
4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]-methylamino]butanoic acid
CID 54986328
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
2-[tert-butyl-[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]acetic acid
CID 79257428
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
N-(2-methoxyethyl)-N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 78873737

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide (CID 112725970) is N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide is CC=CC(=O)N(CCOC)CC(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide?
The InChIKey is TTWZGUCIGDOHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-11(13)12(7-8-14-4)9-10(2)3/h5-6,10H,7-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide is sourced from PubChem (CID 112725970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).