2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide

C14H22N2O5 — CID 106236435

IUPAC2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
SMILESCOc1cc(CNCCOCC(N)=O)cc(OC)c1OC
InChIInChI=1S/C14H22N2O5/c1-18-11-6-10(7-12(19-2)14(11)20-3)8-16-4-5-21-9-13(15)17/h6-7,16H,4-5,8-9H2,1-3H3,(H2,15,17)
InChIKeyXVSBSTLYUQPWDU-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.30
Rot. Bonds10

About 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide

2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide (PubChem CID 106236435) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
PubChem CID106236435
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
SMILESCOc1cc(CNCCOCC(N)=O)cc(OC)c1OC
InChIInChI=1S/C14H22N2O5/c1-18-11-6-10(7-12(19-2)14(11)20-3)8-16-4-5-21-9-13(15)17/h6-7,16H,4-5,8-9H2,1-3H3,(H2,15,17)
InChIKeyXVSBSTLYUQPWDU-UHFFFAOYSA-N
XLogP0.30
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl acetate
CID 11099240
2-[2-[(4-methoxy-3-methylphenyl)methylamino]ethoxy]acetamide
CID 106235776
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]ethanol
CID 17155563
2-[2-[(3-chloro-4-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106236132
2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
2-[2-[(2,3-dimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235488
2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylamino]ethoxy]acetamide
CID 114161954
2-[2-[(3,5-dichlorophenyl)methylamino]ethoxy]acetamide
CID 114162125
N-[(3,4,5-trimethoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17293493
2-[2-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylamino]ethoxy]acetamide
CID 106235635
2-[2-bromo-6-methoxy-4-[(pentylamino)methyl]phenoxy]acetamide;hydrochloride
CID 17291007
2,6-dimethoxy-4-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]phenol
CID 114466035

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide?
The IUPAC name of 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide (CID 106236435) is 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide.
What is the SMILES notation for 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide?
The canonical SMILES for 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide is COc1cc(CNCCOCC(N)=O)cc(OC)c1OC.
What is the InChIKey of 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide?
The InChIKey is XVSBSTLYUQPWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-18-11-6-10(7-12(19-2)14(11)20-3)8-16-4-5-21-9-13(15)17/h6-7,16H,4-5,8-9H2,1-3H3,(H2,15,17).
What are the key properties of 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide?
2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide has a molecular weight of 298.34 g/mol, XLogP of 0.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide is sourced from PubChem (CID 106236435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).