3-(2-methoxyphenyl)-3-(methylamino)butanamide

C12H18N2O2 — CID 65236411

IUPAC3-(2-methoxyphenyl)-3-(methylamino)butanamide
SMILESCNC(C)(CC(N)=O)c1ccccc1OC
InChIInChI=1S/C12H18N2O2/c1-12(14-2,8-11(13)15)9-6-4-5-7-10(9)16-3/h4-7,14H,8H2,1-3H3,(H2,13,15)
InChIKeyXNLYMQGJALUMPB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.01
Rot. Bonds5

About 3-(2-methoxyphenyl)-3-(methylamino)butanamide

3-(2-methoxyphenyl)-3-(methylamino)butanamide (PubChem CID 65236411) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-3-(methylamino)butanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-3-(methylamino)butanamide
PubChem CID65236411
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-(2-methoxyphenyl)-3-(methylamino)butanamide
SMILESCNC(C)(CC(N)=O)c1ccccc1OC
InChIInChI=1S/C12H18N2O2/c1-12(14-2,8-11(13)15)9-6-4-5-7-10(9)16-3/h4-7,14H,8H2,1-3H3,(H2,13,15)
InChIKeyXNLYMQGJALUMPB-UHFFFAOYSA-N
XLogP1.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
CID 65236981
2,2-bis(2-methoxyphenyl)propanediamide
CID 118221758
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
triethyl (2-methoxyphenyl)methanetricarboxylate
CID 15732418
methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115191491
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
methyl 3-hydroxy-2-[tris(2-methoxyphenyl)methylamino]propanoate
CID 18323567
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropanamide
CID 115152834

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-3-(methylamino)butanamide?
The IUPAC name of 3-(2-methoxyphenyl)-3-(methylamino)butanamide (CID 65236411) is 3-(2-methoxyphenyl)-3-(methylamino)butanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-3-(methylamino)butanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-3-(methylamino)butanamide is CNC(C)(CC(N)=O)c1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-3-(methylamino)butanamide?
The InChIKey is XNLYMQGJALUMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(14-2,8-11(13)15)9-6-4-5-7-10(9)16-3/h4-7,14H,8H2,1-3H3,(H2,13,15).
What are the key properties of 3-(2-methoxyphenyl)-3-(methylamino)butanamide?
3-(2-methoxyphenyl)-3-(methylamino)butanamide has a molecular weight of 222.29 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-3-(methylamino)butanamide is sourced from PubChem (CID 65236411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).