4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide

C11H22N2O2 — CID 103154235

IUPAC4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CN(CC)C(=O)CC(CN)OC
InChIInChI=1S/C11H22N2O2/c1-5-13(8-9(2)3)11(14)6-10(7-12)15-4/h10H,2,5-8,12H2,1,3-4H3
InChIKeyJITSMKFSSYPDOS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.77
Rot. Bonds7

About 4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide

4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide (PubChem CID 103154235) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide
PubChem CID103154235
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide
SMILESC=C(C)CN(CC)C(=O)CC(CN)OC
InChIInChI=1S/C11H22N2O2/c1-5-13(8-9(2)3)11(14)6-10(7-12)15-4/h10H,2,5-8,12H2,1,3-4H3
InChIKeyJITSMKFSSYPDOS-UHFFFAOYSA-N
XLogP0.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 120590193
4-amino-3-methoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)butanamide
CID 120590194
N-ethyl-N-(2-methylprop-2-enyl)-2-morpholin-2-ylacetamide
CID 66432985
4-amino-N,N-diethyl-3-methoxybutanamide
CID 103154039
4-amino-3-methoxy-N,N-dipropylbutanamide
CID 103154067
4-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methoxybutanamide
CID 103154097
4-amino-N-butyl-3-methoxy-N-methylbutanamide
CID 103154155
4-amino-N-butyl-N-ethyl-3-methoxybutanamide
CID 103154162
4-amino-3-methoxy-N-prop-2-enylbutanamide
CID 103154231
4-amino-3-methoxy-N,N-bis(prop-2-enyl)butanamide
CID 103154234
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
4-amino-N-ethyl-3-methoxy-N-methylbutanamide
CID 103154307

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide?
The IUPAC name of 4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide (CID 103154235) is 4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide.
What is the SMILES notation for 4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide?
The canonical SMILES for 4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide is C=C(C)CN(CC)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide?
The InChIKey is JITSMKFSSYPDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-13(8-9(2)3)11(14)6-10(7-12)15-4/h10H,2,5-8,12H2,1,3-4H3.
What are the key properties of 4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide?
4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide is sourced from PubChem (CID 103154235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).