2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C12H18N2O4 — CID 60672524

IUPAC2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN
InChIInChI=1S/C12H18N2O4/c1-16-9-5-11(18-3)10(17-2)4-8(9)7-14-12(15)6-13/h4-5H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyFFTBCAQAYWZRTD-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.29
Rot. Bonds6

About 2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 60672524) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID60672524
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN
InChIInChI=1S/C12H18N2O4/c1-16-9-5-11(18-3)10(17-2)4-8(9)7-14-12(15)6-13/h4-5H,6-7,13H2,1-3H3,(H,14,15)
InChIKeyFFTBCAQAYWZRTD-UHFFFAOYSA-N
XLogP0.29
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
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-amino-N-[(2-bromo-4,5-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119316725
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 120587250
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
(2S)-2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119271842
2-(dipropylamino)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34600439
2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 64609355
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
2-amino-N-[(5-tert-butyl-4-methoxy-2-methylphenyl)methyl]acetamide
CID 96678465

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 60672524) is 2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)CN.
What is the InChIKey of 2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is FFTBCAQAYWZRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-16-9-5-11(18-3)10(17-2)4-8(9)7-14-12(15)6-13/h4-5H,6-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 60672524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).