4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide

C12H24N2O2 — CID 103156484

IUPAC4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)CC(CN)OC)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-6-7-14(12(2,3)4)11(15)8-10(9-13)16-5/h6,10H,1,7-9,13H2,2-5H3
InChIKeyGHCJUMYARLPBGT-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.16
Rot. Bonds6

About 4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide

4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide (PubChem CID 103156484) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide
PubChem CID103156484
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)CC(CN)OC)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-6-7-14(12(2,3)4)11(15)8-10(9-13)16-5/h6,10H,1,7-9,13H2,2-5H3
InChIKeyGHCJUMYARLPBGT-UHFFFAOYSA-N
XLogP1.16
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.16
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
2-morpholin-2-yl-N-propan-2-yl-N-prop-2-enylacetamide
CID 66426369
N-ethyl-2-morpholin-2-yl-N-prop-2-enylacetamide
CID 81489486
2-morpholin-2-yl-N-prop-2-enyl-N-propylacetamide
CID 81809148
N-methyl-2-morpholin-2-yl-N-prop-2-enylacetamide
CID 81809219
N-tert-butyl-2-morpholin-2-yl-N-prop-2-enylacetamide
CID 81809740
2-amino-N-tert-butyl-3-methoxy-N-prop-2-enylpropanamide
CID 81809790
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-ethyl-3-methoxy-N-(2-methylprop-2-enyl)butanamide
CID 103154235
4-amino-3-methoxy-N-propan-2-yl-N-prop-2-enylbutanamide
CID 103155207

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide (CID 103156484) is 4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide is C=CCN(C(=O)CC(CN)OC)C(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide?
The InChIKey is GHCJUMYARLPBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-7-14(12(2,3)4)11(15)8-10(9-13)16-5/h6,10H,1,7-9,13H2,2-5H3.
What are the key properties of 4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide?
4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-methoxy-N-prop-2-enylbutanamide is sourced from PubChem (CID 103156484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).