2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide

C19H24ClN3O2 — CID 119862026

IUPAC2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide
SMILESCN(C)CCOc1ccc(NC(=O)C(N)Cc2ccccc2)cc1Cl
InChIInChI=1S/C19H24ClN3O2/c1-23(2)10-11-25-18-9-8-15(13-16(18)20)22-19(24)17(21)12-14-6-4-3-5-7-14/h3-9,13,17H,10-12,21H2,1-2H3,(H,22,24)
InChIKeyZVLLXONKPPJMDR-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.79
Rot. Bonds8

About 2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide

2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide (PubChem CID 119862026) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide
PubChem CID119862026
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide
SMILESCN(C)CCOc1ccc(NC(=O)C(N)Cc2ccccc2)cc1Cl
InChIInChI=1S/C19H24ClN3O2/c1-23(2)10-11-25-18-9-8-15(13-16(18)20)22-19(24)17(21)12-14-6-4-3-5-7-14/h3-9,13,17H,10-12,21H2,1-2H3,(H,22,24)
InChIKeyZVLLXONKPPJMDR-UHFFFAOYSA-N
XLogP2.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86964025
2-amino-N-(3-chloro-4-methylsulfanylphenyl)-3-phenylpropanamide
CID 156652616
4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
2-amino-N-(3-ethoxy-4-methoxyphenyl)-3-phenylpropanamide
CID 119286174
4-[[(2S)-2-amino-3-phenylpropanoyl]amino]-2-chloro-N,N-diethylbenzamide;hydrochloride
CID 119283382
2-amino-N-(3,5-dichloro-4-fluorophenyl)-3-phenylpropanamide
CID 107574453
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
CID 86964022
2-amino-N-[3-chloro-4-(2-methoxyethoxy)phenyl]pentanamide;hydrochloride
CID 119298223
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2R)-2-amino-N-(3-iodo-4-methylphenyl)-3-phenylpropanamide
CID 78985668

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide (CID 119862026) is 2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide is CN(C)CCOc1ccc(NC(=O)C(N)Cc2ccccc2)cc1Cl.
What is the InChIKey of 2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide?
The InChIKey is ZVLLXONKPPJMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-23(2)10-11-25-18-9-8-15(13-16(18)20)22-19(24)17(21)12-14-6-4-3-5-7-14/h3-9,13,17H,10-12,21H2,1-2H3,(H,22,24).
What are the key properties of 2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide?
2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide has a molecular weight of 361.87 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide is sourced from PubChem (CID 119862026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).