2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide

C12H17ClN2O2 — CID 115152223

IUPAC2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
SMILESCOc1cc(C)c(Cl)c(C)c1NC(=O)C(C)N
InChIInChI=1S/C12H17ClN2O2/c1-6-5-9(17-4)11(7(2)10(6)13)15-12(16)8(3)14/h5,8H,14H2,1-4H3,(H,15,16)
InChIKeyPNEGONVPEAHKGB-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.25
Rot. Bonds3

About 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide

2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide (PubChem CID 115152223) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
PubChem CID115152223
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide
SMILESCOc1cc(C)c(Cl)c(C)c1NC(=O)C(C)N
InChIInChI=1S/C12H17ClN2O2/c1-6-5-9(17-4)11(7(2)10(6)13)15-12(16)8(3)14/h5,8H,14H2,1-4H3,(H,15,16)
InChIKeyPNEGONVPEAHKGB-UHFFFAOYSA-N
XLogP2.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)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-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-2-oxoacetic acid
CID 82500008
(2S)-2-amino-N-(4-bromo-2-methoxy-6-methylphenyl)propanamide
CID 61147133
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanehydrazide
CID 116843880
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-oxoacetamide
CID 116924450
2-hydroxy-N-(4-methoxy-2,3,6-trimethylphenyl)propanamide
CID 115140443
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
(2S)-2-amino-N-(2-methoxy-5-methylphenyl)propanamide
CID 22690513
2-(3-chloro-6-methoxy-2,4-dimethylanilino)-N,N-dimethylacetamide
CID 96679162
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
2-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(methylamino)acetic acid
CID 82483238

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide?
The IUPAC name of 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide (CID 115152223) is 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide?
The canonical SMILES for 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide is COc1cc(C)c(Cl)c(C)c1NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide?
The InChIKey is PNEGONVPEAHKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-6-5-9(17-4)11(7(2)10(6)13)15-12(16)8(3)14/h5,8H,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide?
2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide has a molecular weight of 256.73 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 115152223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).