3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide

C13H20N2O4 — CID 43553337

IUPAC3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(N)=O)c(OC)c1OC
InChIInChI=1S/C13H20N2O4/c1-17-10-5-4-9(8-15-7-6-11(14)16)12(18-2)13(10)19-3/h4-5,15H,6-8H2,1-3H3,(H2,14,16)
InChIKeyWOFBGGUQDMIDKL-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.68
Rot. Bonds8

About 3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide

3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide (PubChem CID 43553337) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
PubChem CID43553337
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
SMILESCOc1ccc(CNCCC(N)=O)c(OC)c1OC
InChIInChI=1S/C13H20N2O4/c1-17-10-5-4-9(8-15-7-6-11(14)16)12(18-2)13(10)19-3/h4-5,15H,6-8H2,1-3H3,(H2,14,16)
InChIKeyWOFBGGUQDMIDKL-UHFFFAOYSA-N
XLogP0.68
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,3,4-trimethoxyphenyl)methylamino]pentanamide
CID 106234716
4-[(2,3,4-trimethoxyphenyl)methylamino]butanoic acid
CID 60782759
N'-[(2,3,4-trimethoxyphenyl)methyl]-N-[2-[(2,3,4-trimethoxyphenyl)methylamino]ethyl]ethane-1,2-diamine;trihydrochloride
CID 139593123
N-benzyl-3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide
CID 51129427
3-[(2-methoxy-5-methylphenyl)methylamino]propanamide
CID 43423932
N'-[(2,3,4-trimethoxyphenyl)methyl]butane-1,4-diamine
CID 60895231
N,N-dimethyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43214462
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide
CID 78998463
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
3-methylsulfinyl-N-[(2,3,4-trimethoxyphenyl)methyl]propan-1-amine
CID 115632884

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide?
The IUPAC name of 3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide (CID 43553337) is 3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide?
The canonical SMILES for 3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide is COc1ccc(CNCCC(N)=O)c(OC)c1OC.
What is the InChIKey of 3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide?
The InChIKey is WOFBGGUQDMIDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-17-10-5-4-9(8-15-7-6-11(14)16)12(18-2)13(10)19-3/h4-5,15H,6-8H2,1-3H3,(H2,14,16).
What are the key properties of 3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide?
3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide has a molecular weight of 268.31 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3,4-trimethoxyphenyl)methylamino]propanamide is sourced from PubChem (CID 43553337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).