4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide

C13H20N2O2 — CID 65236981

IUPAC4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
SMILESCNC(C)(CC(N)=O)Cc1ccccc1OC
InChIInChI=1S/C13H20N2O2/c1-13(15-2,9-12(14)16)8-10-6-4-5-7-11(10)17-3/h4-7,15H,8-9H2,1-3H3,(H2,14,16)
InChIKeyQZLHHDWJFFDBTC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.09
Rot. Bonds6

About 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide

4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide (PubChem CID 65236981) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
PubChem CID65236981
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide
SMILESCNC(C)(CC(N)=O)Cc1ccccc1OC
InChIInChI=1S/C13H20N2O2/c1-13(15-2,9-12(14)16)8-10-6-4-5-7-11(10)17-3/h4-7,15H,8-9H2,1-3H3,(H2,14,16)
InChIKeyQZLHHDWJFFDBTC-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanoate
CID 65237014
3-(2-methoxyphenyl)-3-(methylamino)butanamide
CID 65236411
3-(ethylamino)-4-(2-methoxyphenyl)-3-methylbutanoic acid
CID 65233656
2-[[1-amino-3-(2-methoxyphenyl)-2-methylpropan-2-yl]amino]ethanol
CID 65380128
2-(ethylamino)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61056299
2-amino-2-bromo-3-(2-methoxyphenyl)propanoic acid
CID 164851883
2-anilino-3-(2-methoxyphenyl)-2-methylpropan-1-ol
CID 61047342
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
N-[(2-methoxyphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 62834293
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
methyl (2S)-2-amino-3-(2-methoxyphenyl)propanoate
CID 10703616
3-(2-methoxyphenyl)-2-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 114544621

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide?
The IUPAC name of 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide (CID 65236981) is 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide.
What is the SMILES notation for 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide?
The canonical SMILES for 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide is CNC(C)(CC(N)=O)Cc1ccccc1OC.
What is the InChIKey of 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide?
The InChIKey is QZLHHDWJFFDBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(15-2,9-12(14)16)8-10-6-4-5-7-11(10)17-3/h4-7,15H,8-9H2,1-3H3,(H2,14,16).
What are the key properties of 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide?
4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide has a molecular weight of 236.31 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-3-methyl-3-(methylamino)butanamide is sourced from PubChem (CID 65236981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).