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

C12H18N2O4 — CID 16773062

IUPAC2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNCC(N)=O
InChIInChI=1S/C12H18N2O4/c1-16-9-5-11(18-3)10(17-2)4-8(9)6-14-7-12(13)15/h4-5,14H,6-7H2,1-3H3,(H2,13,15)
InChIKeyQHSRQFQWSMRREW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.29
Rot. Bonds7

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

2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide (PubChem CID 16773062) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide
PubChem CID16773062
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNCC(N)=O
InChIInChI=1S/C12H18N2O4/c1-16-9-5-11(18-3)10(17-2)4-8(9)6-14-7-12(13)15/h4-5,14H,6-7H2,1-3H3,(H2,13,15)
InChIKeyQHSRQFQWSMRREW-UHFFFAOYSA-N
XLogP0.29
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl carbamate
CID 83210035
2-[2-[(2,4,5-trimethoxyphenyl)methylamino]ethoxy]acetamide
CID 106235678
2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]acetamide
CID 78911544
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
2-[(4,5-dimethoxy-2-methylphenyl)methylamino]acetic acid
CID 43465736
N-methyl-N'-[(2,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
CID 113405170
3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]but-2-en-1-amine
CID 103605632
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
N-[(2,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 4719013

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide?
The IUPAC name of 2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide (CID 16773062) is 2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide.
What is the SMILES notation for 2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide?
The canonical SMILES for 2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide is COc1cc(OC)c(OC)cc1CNCC(N)=O.
What is the InChIKey of 2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide?
The InChIKey is QHSRQFQWSMRREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-16-9-5-11(18-3)10(17-2)4-8(9)6-14-7-12(13)15/h4-5,14H,6-7H2,1-3H3,(H2,13,15).
What are the key properties of 2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide?
2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,5-trimethoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 16773062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).