3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride

C19H24Cl2N2O2 — CID 119804636

IUPAC3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(CNC(=O)C(C)C(N)c1ccccc1)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H23ClN2O2.ClH/c1-13(24-17-10-8-16(20)9-11-17)12-22-19(23)14(2)18(21)15-6-4-3-5-7-15;/h3-11,13-14,18H,12,21H2,1-2H3,(H,22,23);1H
InChIKeyWHWASQUOVKZXNQ-UHFFFAOYSA-N
MW383.32 g/mol
LogP3.98
Rot. Bonds7

About 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119804636) has the molecular formula C19H24Cl2N2O2 and a molecular weight of 383.32 g/mol. Its IUPAC name is 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119804636
Molecular FormulaC19H24Cl2N2O2
Molecular Weight383.32 g/mol
Exact Mass382.12
IUPAC Name3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(CNC(=O)C(C)C(N)c1ccccc1)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C19H23ClN2O2.ClH/c1-13(24-17-10-8-16(20)9-11-17)12-22-19(23)14(2)18(21)15-6-4-3-5-7-15;/h3-11,13-14,18H,12,21H2,1-2H3,(H,22,23);1H
InChIKeyWHWASQUOVKZXNQ-UHFFFAOYSA-N
XLogP3.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[2-(4-chlorophenoxy)propyl]-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-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide
CID 119804637
3-amino-N-[2-(3-fluorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119804745
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278
2-amino-N-[2-(4-methoxyphenoxy)propyl]-2-phenylacetamide;hydrochloride
CID 119290481
3-amino-N-(2-hydroxypropyl)-2-methyl-3-phenylpropanamide
CID 80551917
3-amino-N-(2-ethylbutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119706690
3-amino-N-[2-(dimethylamino)propyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119861809
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
3-amino-2-methyl-N-(2-methyl-3-phenylmethoxypropyl)-3-phenylpropanamide;hydrochloride
CID 119750650
3-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-2-methyl-3-phenylpropanamide
CID 106175749
3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119813958
3-amino-2-methyl-3-phenyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 119707089

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119804636) is 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride is CC(CNC(=O)C(C)C(N)c1ccccc1)Oc1ccc(Cl)cc1.Cl.
What is the InChIKey of 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is WHWASQUOVKZXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2.ClH/c1-13(24-17-10-8-16(20)9-11-17)12-22-19(23)14(2)18(21)15-6-4-3-5-7-15;/h3-11,13-14,18H,12,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 383.32 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-chlorophenoxy)propyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119804636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).