2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide

C13H20N2O3 — CID 43400841

IUPAC2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-9(13(16)14-2)15-8-10-5-6-11(17-3)12(7-10)18-4/h5-7,9,15H,8H2,1-4H3,(H,14,16)
InChIKeyHHWUDIDRLIVHIN-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.93
Rot. Bonds6

About 2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide

2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide (PubChem CID 43400841) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
PubChem CID43400841
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C13H20N2O3/c1-9(13(16)14-2)15-8-10-5-6-11(17-3)12(7-10)18-4/h5-7,9,15H,8H2,1-4H3,(H,14,16)
InChIKeyHHWUDIDRLIVHIN-UHFFFAOYSA-N
XLogP0.93
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylamino]-N-methylpropanamide
CID 61057407
(2R)-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]propanoic acid
CID 95003448
(2S)-2-[(3,4-dimethoxyphenyl)methylamino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41236259
2-[(3,4-dimethoxyphenyl)methylamino]-3-hydroxybutanoic acid
CID 82364254
methyl (2S)-2-[(3-hydroxy-4-methoxyphenyl)methylamino]propanoate
CID 43723581
2-[(3,4-difluorophenyl)methylamino]-N-methylpropanamide
CID 61057983
(3R)-3-[(3,4-dimethoxyphenyl)methylamino]-4-methylpentanoic acid
CID 69227121
(2R)-2-[(3,4-dimethoxyphenyl)methylamino]propan-1-ol
CID 114985562
methyl 2-fluoro-4-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]benzoate
CID 106699905
2-[(3-methoxy-4-propoxyphenyl)methylamino]propanoic acid
CID 57411910
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide (CID 43400841) is 2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide is CNC(=O)C(C)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide?
The InChIKey is HHWUDIDRLIVHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(13(16)14-2)15-8-10-5-6-11(17-3)12(7-10)18-4/h5-7,9,15H,8H2,1-4H3,(H,14,16).
What are the key properties of 2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide?
2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 43400841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).