3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride

C19H24Cl2N2O3 — CID 119753562

IUPAC3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOCCOc1c(Cl)cccc1NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H23ClN2O3.ClH/c1-13(17(21)14-7-4-3-5-8-14)19(23)22-16-10-6-9-15(20)18(16)25-12-11-24-2;/h3-10,13,17H,11-12,21H2,1-2H3,(H,22,23);1H
InChIKeyMQEBBBNURQKGTJ-UHFFFAOYSA-N
MW399.32 g/mol
LogP4.06
Rot. Bonds8

About 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119753562) has the molecular formula C19H24Cl2N2O3 and a molecular weight of 399.32 g/mol. Its IUPAC name is 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119753562
Molecular FormulaC19H24Cl2N2O3
Molecular Weight399.32 g/mol
Exact Mass398.12
IUPAC Name3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCOCCOc1c(Cl)cccc1NC(=O)C(C)C(N)c1ccccc1.Cl
InChIInChI=1S/C19H23ClN2O3.ClH/c1-13(17(21)14-7-4-3-5-8-14)19(23)22-16-10-6-9-15(20)18(16)25-12-11-24-2;/h3-10,13,17H,11-12,21H2,1-2H3,(H,22,23);1H
InChIKeyMQEBBBNURQKGTJ-UHFFFAOYSA-N
XLogP4.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.32
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[2-(2-methoxyethoxy)-4-methylphenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119726873
(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302408
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60594908
3-amino-N-(4-methoxybutan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119765561
4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
CID 120590484
2-(4-aminophenyl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 86813908
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
3-amino-N-(2,5-dichlorophenyl)-2-methyl-3-phenylpropanamide
CID 80546727
2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]-N-ethylbenzamide;hydrochloride
CID 119714085
3-amino-2-methyl-3-phenyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide;hydrochloride
CID 119700402
3-amino-2-methyl-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 80546722
3-amino-2-methyl-3-phenyl-N-(2-propylphenyl)propanamide
CID 119705368

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119753562) is 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride is COCCOc1c(Cl)cccc1NC(=O)C(C)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is MQEBBBNURQKGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3.ClH/c1-13(17(21)14-7-4-3-5-8-14)19(23)22-16-10-6-9-15(20)18(16)25-12-11-24-2;/h3-10,13,17H,11-12,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 399.32 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119753562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).