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

C13H20ClN3O2 — CID 119862046

IUPAC(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1
InChIInChI=1S/C13H20ClN3O2/c1-9(15)13(18)16-10-4-5-12(11(14)8-10)19-7-6-17(2)3/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)/t9-/m1/s1
InChIKeyPXURZJUBSFXKHX-SECBINFHSA-N
MW285.78 g/mol
LogP1.57
Rot. Bonds6

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

(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide (PubChem CID 119862046) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
PubChem CID119862046
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
SMILESC[C@@H](N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1
InChIInChI=1S/C13H20ClN3O2/c1-9(15)13(18)16-10-4-5-12(11(14)8-10)19-7-6-17(2)3/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)/t9-/m1/s1
InChIKeyPXURZJUBSFXKHX-SECBINFHSA-N
XLogP1.57
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pentanamide;dihydrochloride
CID 120564955
2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-phenylpropanamide
CID 119862026
(2S)-2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]propanamide
CID 119285034
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86964025
2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
CID 86964022
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
3-amino-N-(3-chloro-4-propoxyphenyl)butanamide
CID 54862798
4-(3-chloro-4-propoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496736
(2S)-2-amino-N-(3,4-dichlorophenyl)propanamide
CID 22690595
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2-methoxy-4-methylphenoxy)propanamide
CID 86964008
2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 54862511
(2S)-2-amino-N-(3-chloro-4-ethoxyphenyl)-3-methylbutanamide
CID 61179599

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide (CID 119862046) is (2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide is C[C@@H](N)C(=O)Nc1ccc(OCCN(C)C)c(Cl)c1.
What is the InChIKey of (2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
The InChIKey is PXURZJUBSFXKHX-SECBINFHSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-9(15)13(18)16-10-4-5-12(11(14)8-10)19-7-6-17(2)3/h4-5,8-9H,6-7,15H2,1-3H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide?
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide has a molecular weight of 285.78 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide is sourced from PubChem (CID 119862046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).