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

C18H23ClN2O4 — CID 119690607

IUPAC2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-22-15-10-17(24-3)16(23-2)9-13(15)11-20-18(21)8-12-4-6-14(19)7-5-12;/h4-7,9-10H,8,11,19H2,1-3H3,(H,20,21);1H
InChIKeyYJVNUFWYWTXESN-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.58
Rot. Bonds7

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

2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 119690607) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID119690607
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C18H22N2O4.ClH/c1-22-15-10-17(24-3)16(23-2)9-13(15)11-20-18(21)8-12-4-6-14(19)7-5-12;/h4-7,9-10H,8,11,19H2,1-3H3,(H,20,21);1H
InChIKeyYJVNUFWYWTXESN-UHFFFAOYSA-N
XLogP2.58
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-amino-2-methoxyphenyl)methyl]-2-(4-aminophenyl)acetamide
CID 143586578
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
2-(3-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 18116287
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
CID 119781593
3-(4-methylphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 18121489
[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl] 4-ethylbenzoate
CID 9230124
3-(4-chlorophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 31948362
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
2-anilino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690630
2-(3-aminophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 28711930
3-(3-bromo-4-methoxyphenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 46568198
2-(4-aminophenyl)-N-[2-(2-methoxy-5-methylphenyl)ethyl]acetamide;hydrochloride
CID 119693030

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride (CID 119690607) is 2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride is COc1cc(OC)c(OC)cc1CNC(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is YJVNUFWYWTXESN-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)8-12-4-6-14(19)7-5-12;/h4-7,9-10H,8,11,19H2,1-3H3,(H,20,21);1H.
What are the key properties of 2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride?
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 366.85 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 119690607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).