3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride

C21H29ClN2O4 — CID 119778880

IUPAC3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1cc(OC)c(CCNC(=O)C(C)C(N)c2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C21H28N2O4.ClH/c1-14(20(22)15-8-6-5-7-9-15)21(24)23-11-10-17-18(26-3)12-16(25-2)13-19(17)27-4;/h5-9,12-14,20H,10-11,22H2,1-4H3,(H,23,24);1H
InChIKeyTYCRPSAFIBJGLG-UHFFFAOYSA-N
MW408.93 g/mol
LogP3.13
Rot. Bonds9

About 3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride

3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119778880) has the molecular formula C21H29ClN2O4 and a molecular weight of 408.93 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID119778880
Molecular FormulaC21H29ClN2O4
Molecular Weight408.93 g/mol
Exact Mass408.18
IUPAC Name3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1cc(OC)c(CCNC(=O)C(C)C(N)c2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C21H28N2O4.ClH/c1-14(20(22)15-8-6-5-7-9-15)21(24)23-11-10-17-18(26-3)12-16(25-2)13-19(17)27-4;/h5-9,12-14,20H,10-11,22H2,1-4H3,(H,23,24);1H
InChIKeyTYCRPSAFIBJGLG-UHFFFAOYSA-N
XLogP3.13
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119733857
2-amino-2-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119320830
3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119705610
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
(2R)-2-amino-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119320832
3-amino-N-[2-(2,6-dimethylphenyl)ethyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119788038
N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703511
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
methyl 4-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]benzoate
CID 119701393
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
2-methyl-1-(1-phenylethyl)-3-[2-(2,4,6-trimethoxyphenyl)ethyl]guanidine;hydroiodide
CID 111545776

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride (CID 119778880) is 3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride is COc1cc(OC)c(CCNC(=O)C(C)C(N)c2ccccc2)c(OC)c1.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is TYCRPSAFIBJGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4.ClH/c1-14(20(22)15-8-6-5-7-9-15)21(24)23-11-10-17-18(26-3)12-16(25-2)13-19(17)27-4;/h5-9,12-14,20H,10-11,22H2,1-4H3,(H,23,24);1H.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride?
3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 408.93 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119778880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).