2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride

C18H23ClN2O4 — CID 119690630

IUPAC2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CNc1ccccc1.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-22-15-10-17(24-3)16(23-2)9-13(15)11-20-18(21)12-19-14-7-5-4-6-8-14;/h4-10,19H,11-12H2,1-3H3,(H,20,21);1H
InChIKeyCWAYVKVRQPPZAK-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.86
Rot. Bonds8

About 2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride

2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 119690630) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID119690630
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CNc1ccccc1.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-22-15-10-17(24-3)16(23-2)9-13(15)11-20-18(21)12-19-14-7-5-4-6-8-14;/h4-10,19H,11-12H2,1-3H3,(H,20,21);1H
InChIKeyCWAYVKVRQPPZAK-UHFFFAOYSA-N
XLogP2.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
2-anilino-N-[(2-hydroxyphenyl)methyl]acetamide
CID 114332305
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 3,3-diphenylpropanoate
CID 27893431
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
2-anilino-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119720016
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
2-hydroxy-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18116275
2-naphthalen-2-yloxy-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 7583241
methyl 2-[4,5-dimethoxy-2-[[(2-phenylacetyl)amino]methyl]phenyl]acetate
CID 67148501
2-(1,3-benzodioxol-5-ylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 108998484

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride (CID 119690630) is 2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride is COc1cc(OC)c(OC)cc1CNC(=O)CNc1ccccc1.Cl.
What is the InChIKey of 2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is CWAYVKVRQPPZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4.ClH/c1-22-15-10-17(24-3)16(23-2)9-13(15)11-20-18(21)12-19-14-7-5-4-6-8-14;/h4-10,19H,11-12H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119690630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).