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

C21H27ClN2O2 — CID 119741680

IUPAC3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-4-14-23(15-17-10-12-19(25-3)13-11-17)21(24)16(2)20(22)18-8-6-5-7-9-18;/h4-13,16,20H,1,14-15,22H2,2-3H3;1H
InChIKeyLTNAMHXMYUWDMF-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.97
Rot. Bonds8

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

3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride (PubChem CID 119741680) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is 3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
PubChem CID119741680
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC Name3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C21H26N2O2.ClH/c1-4-14-23(15-17-10-12-19(25-3)13-11-17)21(24)16(2)20(22)18-8-6-5-7-9-18;/h4-13,16,20H,1,14-15,22H2,2-3H3;1H
InChIKeyLTNAMHXMYUWDMF-UHFFFAOYSA-N
XLogP3.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.97
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-prop-2-enylbutanamide;hydrochloride
CID 119741696
2-[(3-amino-2-methyl-3-phenylpropanoyl)-prop-2-enylamino]acetic acid
CID 80552743
N-[(4-methoxyphenyl)methyl]-4-oxo-N-prop-2-enylchromene-2-carboxamide
CID 47064295
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
methyl (2S)-2-amino-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-5-oxopentanoate
CID 69494857
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
3-amino-N-[(4-ethylphenyl)methyl]-N,2-dimethyl-3-phenylpropanamide
CID 119681290
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
CID 55917567
(2R,3S)-3-amino-1-(4-methoxyphenyl)-2-methyl-3-phenylpropan-1-one
CID 10635675
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
(2R,3R)-3-[(4-methoxyphenyl)methyl-prop-2-enylamino]-3-phenylpropane-1,2-diol
CID 11823617

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride (CID 119741680) is 3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride is C=CCN(Cc1ccc(OC)cc1)C(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride?
The InChIKey is LTNAMHXMYUWDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.ClH/c1-4-14-23(15-17-10-12-19(25-3)13-11-17)21(24)16(2)20(22)18-8-6-5-7-9-18;/h4-13,16,20H,1,14-15,22H2,2-3H3;1H.
What are the key properties of 3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride?
3-amino-N-[(4-methoxyphenyl)methyl]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride has a molecular weight of 374.91 g/mol, XLogP of 3.97, 8 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]-2-methyl-3-phenyl-N-prop-2-enylpropanamide;hydrochloride is sourced from PubChem (CID 119741680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).