3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride

C15H23ClN2O2 — CID 119741696

IUPAC3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)CC(C)N.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-4-9-17(15(18)10-12(2)16)11-13-5-7-14(19-3)8-6-13;/h4-8,12H,1,9-11,16H2,2-3H3;1H
InChIKeyNIHYPYSWHMCJJU-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.37
Rot. Bonds7

About 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride

3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride (PubChem CID 119741696) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
PubChem CID119741696
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)CC(C)N.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-4-9-17(15(18)10-12(2)16)11-13-5-7-14(19-3)8-6-13;/h4-8,12H,1,9-11,16H2,2-3H3;1H
InChIKeyNIHYPYSWHMCJJU-UHFFFAOYSA-N
XLogP2.37
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.37
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

3-amino-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 54868521
methyl (2S)-2-amino-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-5-oxopentanoate
CID 69494857
3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
CID 119741680
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560791
2-[(4-methoxyphenyl)methyl-prop-2-enylamino]-N-methyl-N-propan-2-ylacetamide
CID 87033932
3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351
methyl (2S)-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 69494840
2-amino-N-[(4-propan-2-ylphenyl)methyl]-N-prop-2-enylacetamide
CID 39349341
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55917442
2-chloro-N-[(4-ethoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 39366818

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride (CID 119741696) is 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride is C=CCN(Cc1ccc(OC)cc1)C(=O)CC(C)N.Cl.
What is the InChIKey of 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride?
The InChIKey is NIHYPYSWHMCJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-4-9-17(15(18)10-12(2)16)11-13-5-7-14(19-3)8-6-13;/h4-8,12H,1,9-11,16H2,2-3H3;1H.
What are the key properties of 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride?
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride is sourced from PubChem (CID 119741696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).