2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide

C13H20N2O2 — CID 116850512

IUPAC2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide
SMILESCNC(=O)C(N)Cc1cc(C)c(OC)cc1C
InChIInChI=1S/C13H20N2O2/c1-8-6-12(17-4)9(2)5-10(8)7-11(14)13(16)15-3/h5-6,11H,7,14H2,1-4H3,(H,15,16)
InChIKeyPAFBZWOXYVXQBU-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.93
Rot. Bonds4

About 2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide

2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide (PubChem CID 116850512) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide
PubChem CID116850512
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide
SMILESCNC(=O)C(N)Cc1cc(C)c(OC)cc1C
InChIInChI=1S/C13H20N2O2/c1-8-6-12(17-4)9(2)5-10(8)7-11(14)13(16)15-3/h5-6,11H,7,14H2,1-4H3,(H,15,16)
InChIKeyPAFBZWOXYVXQBU-UHFFFAOYSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide
CID 116848615
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
2-amino-3-(3-chloro-4-methoxyphenyl)-N-methylpropanamide
CID 116850489
2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
CID 117323060
methyl 2-amino-4-(2,5-dimethoxy-4-methylphenyl)butanoate
CID 116851493
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide
CID 116848669
3-(ethylamino)-4-(4-methoxy-2,5-dimethylphenyl)butanoic acid
CID 82351161
methyl 2-amino-4-(4,5-dimethoxy-2-methylphenyl)butanoate
CID 116851497
2-(aminomethyl)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]butanamide
CID 115186970
2-amino-3-(5-fluoro-2-methoxyphenyl)propanehydrazide
CID 116848579
2-amino-3-(2,5-dimethoxy-3,4-dimethylphenyl)propanehydrazide
CID 116848706

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide (CID 116850512) is 2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide is CNC(=O)C(N)Cc1cc(C)c(OC)cc1C.
What is the InChIKey of 2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide?
The InChIKey is PAFBZWOXYVXQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8-6-12(17-4)9(2)5-10(8)7-11(14)13(16)15-3/h5-6,11H,7,14H2,1-4H3,(H,15,16).
What are the key properties of 2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide?
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide is sourced from PubChem (CID 116850512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).