4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride

C15H26Cl3N3O2 — CID 120564955

IUPAC4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1.Cl.Cl
InChIInChI=1S/C15H24ClN3O2.2ClH/c1-11(17)4-7-15(20)18-12-5-6-14(13(16)10-12)21-9-8-19(2)3;;/h5-6,10-11H,4,7-9,17H2,1-3H3,(H,18,20);2*1H
InChIKeyCENWJVAGQMMCNU-UHFFFAOYSA-N
MW386.75 g/mol
LogP3.19
Rot. Bonds8

About 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride

4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride (PubChem CID 120564955) has the molecular formula C15H26Cl3N3O2 and a molecular weight of 386.75 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
PubChem CID120564955
Molecular FormulaC15H26Cl3N3O2
Molecular Weight386.75 g/mol
Exact Mass385.11
IUPAC Name4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
SMILESCC(N)CCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1.Cl.Cl
InChIInChI=1S/C15H24ClN3O2.2ClH/c1-11(17)4-7-15(20)18-12-5-6-14(13(16)10-12)21-9-8-19(2)3;;/h5-6,10-11H,4,7-9,17H2,1-3H3,(H,18,20);2*1H
InChIKeyCENWJVAGQMMCNU-UHFFFAOYSA-N
XLogP3.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.75
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride 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

(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide
CID 119862026
4-amino-N-(3,4-dipropoxyphenyl)pentanamide
CID 120558926
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
4-amino-N-(3-chloro-4-methylsulfanylphenyl)pentanamide;hydrochloride
CID 120562198
3-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]butanamide;hydrochloride
CID 119715601
2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
CID 86964022
N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119498285
4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride (CID 120564955) is 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride is CC(N)CCC(=O)Nc1ccc(OCCN(C)C)c(Cl)c1.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride?
The InChIKey is CENWJVAGQMMCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2.2ClH/c1-11(17)4-7-15(20)18-12-5-6-14(13(16)10-12)21-9-8-19(2)3;;/h5-6,10-11H,4,7-9,17H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride?
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride has a molecular weight of 386.75 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120564955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).