4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide

C9H18N2O2 — CID 103156480

IUPAC4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C)C(=O)CC(CN)OC
InChIInChI=1S/C9H18N2O2/c1-4-5-11(2)9(12)6-8(7-10)13-3/h4,8H,1,5-7,10H2,2-3H3
InChIKeyYXSGKONGPAXATK-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.01
Rot. Bonds6

About 4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide

4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide (PubChem CID 103156480) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide
PubChem CID103156480
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide
SMILESC=CCN(C)C(=O)CC(CN)OC
InChIInChI=1S/C9H18N2O2/c1-4-5-11(2)9(12)6-8(7-10)13-3/h4,8H,1,5-7,10H2,2-3H3
InChIKeyYXSGKONGPAXATK-UHFFFAOYSA-N
XLogP-0.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.01
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-methyl-N-prop-2-enylbutanamide?
The IUPAC name of 4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide (CID 103156480) is 4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide?
The canonical SMILES for 4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide is C=CCN(C)C(=O)CC(CN)OC.
What is the InChIKey of 4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide?
The InChIKey is YXSGKONGPAXATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-5-11(2)9(12)6-8(7-10)13-3/h4,8H,1,5-7,10H2,2-3H3.
What are the key properties of 4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide?
4-amino-3-methoxy-N-methyl-N-prop-2-enylbutanamide has a molecular weight of 186.25 g/mol, XLogP of -0.01, 6 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-methyl-N-prop-2-enylbutanamide is sourced from PubChem (CID 103156480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).