N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

C12H17NO4 — CID 18425632

IUPACN-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(C)=O)c(OC)c1OC
InChIInChI=1S/C12H17NO4/c1-8(14)13-7-9-5-6-10(15-2)12(17-4)11(9)16-3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyZFGOEBCTCYTSDD-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.35
Rot. Bonds5

About N-[(2,3,4-trimethoxyphenyl)methyl]acetamide

N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 18425632) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID18425632
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(C)=O)c(OC)c1OC
InChIInChI=1S/C12H17NO4/c1-8(14)13-7-9-5-6-10(15-2)12(17-4)11(9)16-3/h5-6H,7H2,1-4H3,(H,13,14)
InChIKeyZFGOEBCTCYTSDD-UHFFFAOYSA-N
XLogP1.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trichloro-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 67538566
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]butanamide
CID 119285338
2-(cyclopropylmethylamino)-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119716059
N-[(2,3,4-trimethoxyphenyl)methyl]cyclopentanecarboxamide
CID 95945674
(2S)-2-(4-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 94049685
N,N-dimethyl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43214462
4-amino-N-[(2,3,4-trimethoxyphenyl)methyl]pentanamide;hydrochloride
CID 120560098
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
N-propan-2-yl-2-[(2,3,4-trimethoxyphenyl)methylamino]acetamide
CID 43400025
2-bromo-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 46591375
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
2-(3-methoxyphenoxy)-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 43910190

Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 18425632) is N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(C)=O)c(OC)c1OC.
What is the InChIKey of N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is ZFGOEBCTCYTSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-8(14)13-7-9-5-6-10(15-2)12(17-4)11(9)16-3/h5-6H,7H2,1-4H3,(H,13,14).
What are the key properties of N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 239.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 18425632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).