3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride

C20H27ClN2O3 — CID 119726873

IUPAC3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOCCOc1cc(C)ccc1NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-14-9-10-17(18(13-14)25-12-11-24-3)22-20(23)15(2)19(21)16-7-5-4-6-8-16;/h4-10,13,15,19H,11-12,21H2,1-3H3,(H,22,23);1H
InChIKeyFGHWBZVLCNSQJZ-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.72
Rot. Bonds8

About 3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119726873) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119726873
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOCCOc1cc(C)ccc1NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H26N2O3.ClH/c1-14-9-10-17(18(13-14)25-12-11-24-3)22-20(23)15(2)19(21)16-7-5-4-6-8-16;/h4-10,13,15,19H,11-12,21H2,1-3H3,(H,22,23);1H
InChIKeyFGHWBZVLCNSQJZ-UHFFFAOYSA-N
XLogP3.72
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[[2-(3-methoxypropoxy)-4-methylphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119811618
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]butanamide
CID 54862844
2-bromo-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 107904095
N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-(methylamino)propanamide
CID 62639493
3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119753562
(2S)-2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentanamide
CID 107568802
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-3-ethoxy-N,N-dimethylbenzamide;hydrochloride
CID 119812590
3-amino-N-[2-(methanesulfonamido)-5-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119802640
3-amino-N-(2-bromo-5-methylphenyl)-2-methyl-3-phenylpropanamide
CID 82747385
2-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]acetamide;hydrochloride
CID 119291233
3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 119700402
3-amino-N-(3,5-dimethylphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119673932

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119726873) is 3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride is COCCOc1cc(C)ccc1NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is FGHWBZVLCNSQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3.ClH/c1-14-9-10-17(18(13-14)25-12-11-24-3)22-20(23)15(2)19(21)16-7-5-4-6-8-16;/h4-10,13,15,19H,11-12,21H2,1-3H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 378.90 g/mol, XLogP of 3.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119726873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).