4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide

C11H22N2O2 — CID 103156482

IUPAC4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide
SMILESC=CCN(CCC)C(=O)CC(CN)OC
InChIInChI=1S/C11H22N2O2/c1-4-6-13(7-5-2)11(14)8-10(9-12)15-3/h4,10H,1,5-9,12H2,2-3H3
InChIKeyVNSSKXYZVDJABX-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.77
Rot. Bonds8

About 4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide

4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide (PubChem CID 103156482) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide
PubChem CID103156482
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide
SMILESC=CCN(CCC)C(=O)CC(CN)OC
InChIInChI=1S/C11H22N2O2/c1-4-6-13(7-5-2)11(14)8-10(9-12)15-3/h4,10H,1,5-9,12H2,2-3H3
InChIKeyVNSSKXYZVDJABX-UHFFFAOYSA-N
XLogP0.77
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-(3-propan-2-yloxypropyl)-N'-prop-2-enylbutanediamide
CID 51362760
2-morpholin-2-yl-N-propan-2-yl-N-prop-2-enylacetamide
CID 66426369
2-morpholin-2-yl-N,N-bis(prop-2-enyl)acetamide
CID 66432984
2-morpholin-2-yl-N-prop-2-enylacetamide
CID 66435902
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
4-amino-N,N-diethyl-3-methoxybutanamide
CID 103154039
4-amino-3-methoxy-N,N-dipropylbutanamide
CID 103154067

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide?
The IUPAC name of 4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide (CID 103156482) is 4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide?
The canonical SMILES for 4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide is C=CCN(CCC)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide?
The InChIKey is VNSSKXYZVDJABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-6-13(7-5-2)11(14)8-10(9-12)15-3/h4,10H,1,5-9,12H2,2-3H3.
What are the key properties of 4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide?
4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 0.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-prop-2-enyl-N-propylbutanamide is sourced from PubChem (CID 103156482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).