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

C20H27ClN2O4 — CID 119733857

IUPAC3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(OC)c(CNC(=O)C(C)C(N)c2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-13(19(21)14-8-6-5-7-9-14)20(23)22-12-16-17(25-3)10-15(24-2)11-18(16)26-4;/h5-11,13,19H,12,21H2,1-4H3,(H,22,23);1H
InChIKeyDUGZEDHWHAMFNS-UHFFFAOYSA-N
MW394.90 g/mol
LogP3.09
Rot. Bonds8

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

3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride (PubChem CID 119733857) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
PubChem CID119733857
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC Name3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride
SMILESCOc1cc(OC)c(CNC(=O)C(C)C(N)c2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C20H26N2O4.ClH/c1-13(19(21)14-8-6-5-7-9-14)20(23)22-12-16-17(25-3)10-15(24-2)11-18(16)26-4;/h5-11,13,19H,12,21H2,1-4H3,(H,22,23);1H
InChIKeyDUGZEDHWHAMFNS-UHFFFAOYSA-N
XLogP3.09
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-3-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119778880
3-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119705610
3-amino-N-(3,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673892
(2S)-2-amino-3,3-dimethyl-N-[(2,4,6-trimethoxyphenyl)methyl]butanamide;hydrochloride
CID 119733862
2-amino-2-phenyl-N-[2-(2,4,6-trimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119320830
N-[2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]ethyl]-3-methoxybenzamide;hydrochloride
CID 119703511
3-amino-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-phenylpropanamide
CID 119673161
3-amino-N-(2,5-dimethoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119674271
3-amino-N-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119858619
2-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 110784312
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119712627

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride (CID 119733857) is 3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride is COc1cc(OC)c(CNC(=O)C(C)C(N)c2ccccc2)c(OC)c1.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride?
The InChIKey is DUGZEDHWHAMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4.ClH/c1-13(19(21)14-8-6-5-7-9-14)20(23)22-12-16-17(25-3)10-15(24-2)11-18(16)26-4;/h5-11,13,19H,12,21H2,1-4H3,(H,22,23);1H.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride?
3-amino-2-methyl-3-phenyl-N-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 3.09, 8 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-[(2,4,6-trimethoxyphenyl)methyl]propanamide;hydrochloride is sourced from PubChem (CID 119733857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).