2-[(3,5-dimethoxyphenyl)methylamino]propanamide

C12H18N2O3 — CID 43402365

IUPAC2-[(3,5-dimethoxyphenyl)methylamino]propanamide
SMILESCOc1cc(CNC(C)C(N)=O)cc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-8(12(13)15)14-7-9-4-10(16-2)6-11(5-9)17-3/h4-6,8,14H,7H2,1-3H3,(H2,13,15)
InChIKeyIFORTUOYLYFUSA-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.67
Rot. Bonds6

About 2-[(3,5-dimethoxyphenyl)methylamino]propanamide

2-[(3,5-dimethoxyphenyl)methylamino]propanamide (PubChem CID 43402365) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methylamino]propanamide
PubChem CID43402365
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[(3,5-dimethoxyphenyl)methylamino]propanamide
SMILESCOc1cc(CNC(C)C(N)=O)cc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-8(12(13)15)14-7-9-4-10(16-2)6-11(5-9)17-3/h4-6,8,14H,7H2,1-3H3,(H2,13,15)
InChIKeyIFORTUOYLYFUSA-UHFFFAOYSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethoxyphenyl)methylamino]propanoic acid
CID 54959230
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
(2S)-2-[(3,4,5-trifluorophenyl)methylamino]propanamide
CID 94999647
N-[(3,5-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 22954105
methyl 2-[(3,4,5-trimethoxyphenyl)methylamino]propanoate
CID 60780797
(2S)-2-[(3-phenylmethoxyphenyl)methylamino]propanamide
CID 10708191
2-[(6-methoxy-3-pyridinyl)methylamino]propanamide
CID 60711228
2-[(3-methoxy-5-nitrophenyl)methylamino]-N-methylpropanamide
CID 81150215
methyl 2-[(3,4,5-trifluorophenyl)methylamino]propanoate
CID 63051404
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
(3,5-dimethoxyphenyl)methylcarbamic acid
CID 67370524
N-[(3,5-dimethoxyphenyl)methyl]but-3-en-2-amine
CID 115691183

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methylamino]propanamide?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methylamino]propanamide (CID 43402365) is 2-[(3,5-dimethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methylamino]propanamide?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methylamino]propanamide is COc1cc(CNC(C)C(N)=O)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methylamino]propanamide?
The InChIKey is IFORTUOYLYFUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(12(13)15)14-7-9-4-10(16-2)6-11(5-9)17-3/h4-6,8,14H,7H2,1-3H3,(H2,13,15).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methylamino]propanamide?
2-[(3,5-dimethoxyphenyl)methylamino]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43402365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).