3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride

C15H23ClN2O3 — CID 119311803

IUPAC3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride
SMILESC=CCc1cc(CNC(=O)CCN)cc(OC)c1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-4-5-12-8-11(10-17-14(18)6-7-16)9-13(19-2)15(12)20-3;/h4,8-9H,1,5-7,10,16H2,2-3H3,(H,17,18);1H
InChIKeyQFFGXOJLBKUVFP-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.82
Rot. Bonds8

About 3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride

3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride (PubChem CID 119311803) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride
PubChem CID119311803
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride
SMILESC=CCc1cc(CNC(=O)CCN)cc(OC)c1OC.Cl
InChIInChI=1S/C15H22N2O3.ClH/c1-4-5-12-8-11(10-17-14(18)6-7-16)9-13(19-2)15(12)20-3;/h4,8-9H,1,5-7,10,16H2,2-3H3,(H,17,18);1H
InChIKeyQFFGXOJLBKUVFP-UHFFFAOYSA-N
XLogP1.82
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119763447
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119763455
(2R)-2-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride
CID 119311821
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylpropanamide
CID 49367786
N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-(furan-2-yl)propanamide
CID 49367800
4-[3-[(3,4-dimethoxy-5-prop-2-enylphenyl)methylamino]-3-oxopropyl]benzoic acid
CID 119183354
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine;hydrochloride
CID 47002651
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652
3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119763451
1-benzyl-3-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-2-methylguanidine
CID 110953464
3-amino-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119293696
N-tert-butyl-2-[[N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111384378

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride (CID 119311803) is 3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride is C=CCc1cc(CNC(=O)CCN)cc(OC)c1OC.Cl.
What is the InChIKey of 3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride?
The InChIKey is QFFGXOJLBKUVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3.ClH/c1-4-5-12-8-11(10-17-14(18)6-7-16)9-13(19-2)15(12)20-3;/h4,8-9H,1,5-7,10,16H2,2-3H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride?
3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride has a molecular weight of 314.81 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119311803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).