3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide

C13H20N2O2 — CID 107852085

IUPAC3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide
SMILESCOc1cccc(CCNCC(C)C(N)=O)c1
InChIInChI=1S/C13H20N2O2/c1-10(13(14)16)9-15-7-6-11-4-3-5-12(8-11)17-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H2,14,16)
InChIKeyCIQCUTKRFLVNIJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.95
Rot. Bonds7

About 3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide

3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide (PubChem CID 107852085) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide
PubChem CID107852085
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide
SMILESCOc1cccc(CCNCC(C)C(N)=O)c1
InChIInChI=1S/C13H20N2O2/c1-10(13(14)16)9-15-7-6-11-4-3-5-12(8-11)17-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H2,14,16)
InChIKeyCIQCUTKRFLVNIJ-UHFFFAOYSA-N
XLogP0.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563
(4S)-5-amino-4-[2-(3-methoxyphenyl)ethylamino]-5-oxopentanoic acid
CID 67333993
N-[2-(3-methoxyphenyl)ethyl]-2-(2-methylpropylamino)acetamide
CID 108993195
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
N-[2-(3-methoxyphenyl)ethyl]-N'-(2-methylpropyl)propanediamide
CID 108941583
1-ethoxy-3-[2-(3-methoxyphenyl)ethylamino]propan-2-ol
CID 107093297
3-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 109025637
[(2S,3R)-3-hydroxy-4-[2-(3-methoxyphenyl)ethylamino]-1-phenylbutan-2-yl]carbamic acid
CID 69441907
2-amino-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 22690352
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(3-methoxyphenyl)ethyl]oxamide
CID 108985428
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide (CID 107852085) is 3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide is COc1cccc(CCNCC(C)C(N)=O)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide?
The InChIKey is CIQCUTKRFLVNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(13(14)16)9-15-7-6-11-4-3-5-12(8-11)17-2/h3-5,8,10,15H,6-7,9H2,1-2H3,(H2,14,16).
What are the key properties of 3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide?
3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethylamino]-2-methylpropanamide is sourced from PubChem (CID 107852085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).