2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide

C13H20ClN3O — CID 110460165

IUPAC2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
SMILESCC(N)C(=O)NCC(c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C13H20ClN3O/c1-9(15)13(18)16-8-12(17(2)3)10-4-6-11(14)7-5-10/h4-7,9,12H,8,15H2,1-3H3,(H,16,18)
InChIKeyRWPYDPQJLLGMQR-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.41
Rot. Bonds5

About 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide

2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide (PubChem CID 110460165) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
PubChem CID110460165
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
SMILESCC(N)C(=O)NCC(c1ccc(Cl)cc1)N(C)C
InChIInChI=1S/C13H20ClN3O/c1-9(15)13(18)16-8-12(17(2)3)10-4-6-11(14)7-5-10/h4-7,9,12H,8,15H2,1-3H3,(H,16,18)
InChIKeyRWPYDPQJLLGMQR-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide 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-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
3-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide
CID 110460305
(2S)-2-amino-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]propanamide
CID 119850709
2-[[4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid
CID 154808714
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
(2R)-2-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 39869905
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-(dimethylamino)-3-methylbutanamide
CID 111107154
2-[[(3R)-4-[[(2S)-2-aminopropanoyl]amino]-3-(4-chlorophenyl)butanoyl]amino]acetic acid;hydrochloride
CID 44668115
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 78973575
2-amino-N-[2-(4-chlorophenyl)sulfanylethyl]propanamide
CID 119272218
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 27230023
2-(4-chlorophenyl)-N-[2-(dimethylamino)-2-phenylethyl]acetamide
CID 4675953

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide (CID 110460165) is 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide is CC(N)C(=O)NCC(c1ccc(Cl)cc1)N(C)C.
What is the InChIKey of 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide?
The InChIKey is RWPYDPQJLLGMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(15)13(18)16-8-12(17(2)3)10-4-6-11(14)7-5-10/h4-7,9,12H,8,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide?
2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide has a molecular weight of 269.78 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 110460165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).