2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide

C11H22N2O2 — CID 142876722

IUPAC2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide
SMILESCO/C(C)=C/CN(C)C(=O)C(N)C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12)11(14)13(4)7-6-9(3)15-5/h6,8,10H,7,12H2,1-5H3/b9-6+
InChIKeyIDHPKEGFDLPBFE-RMKNXTFCSA-N
MW214.31 g/mol
LogP0.98
Rot. Bonds5

About 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide

2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide (PubChem CID 142876722) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide
PubChem CID142876722
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide
SMILESCO/C(C)=C/CN(C)C(=O)C(N)C(C)C
InChIInChI=1S/C11H22N2O2/c1-8(2)10(12)11(14)13(4)7-6-9(3)15-5/h6,8,10H,7,12H2,1-5H3/b9-6+
InChIKeyIDHPKEGFDLPBFE-RMKNXTFCSA-N
XLogP0.98
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide
CID 143023563
2-amino-N,3-dimethyl-N-(2-oxopropyl)butanamide;ethane
CID 143701294
2-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide
CID 123597331
(2S)-2-amino-N-(2-hydroxy-2-methylpropyl)-N,3-dimethylbutanamide
CID 79377276
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270119
2-amino-N-[3-(dimethylamino)propyl]-N,3-dimethylbutanamide
CID 63693134
(2R)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]butanamide
CID 79011463
(2S)-2-amino-N,3-dimethyl-N-pent-4-enylbutanamide
CID 15511724
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234
2-amino-N-[(4-methoxyphenyl)methyl]-N,3-dimethylbutanamide
CID 54868494

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide (CID 142876722) is 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide is CO/C(C)=C/CN(C)C(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide?
The InChIKey is IDHPKEGFDLPBFE-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)10(12)11(14)13(4)7-6-9(3)15-5/h6,8,10H,7,12H2,1-5H3/b9-6+.
What are the key properties of 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide?
2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 142876722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).