2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide

C18H22N2O3 — CID 119781593

IUPAC2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
SMILESCCOc1cc(CNC(=O)Cc2ccc(N)cc2)ccc1OC
InChIInChI=1S/C18H22N2O3/c1-3-23-17-10-14(6-9-16(17)22-2)12-20-18(21)11-13-4-7-15(19)8-5-13/h4-10H,3,11-12,19H2,1-2H3,(H,20,21)
InChIKeyYDMYYHHSXNFDBO-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.54
Rot. Bonds7

About 2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide

2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide (PubChem CID 119781593) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
PubChem CID119781593
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide
SMILESCCOc1cc(CNC(=O)Cc2ccc(N)cc2)ccc1OC
InChIInChI=1S/C18H22N2O3/c1-3-23-17-10-14(6-9-16(17)22-2)12-20-18(21)11-13-4-7-15(19)8-5-13/h4-10H,3,11-12,19H2,1-2H3,(H,20,21)
InChIKeyYDMYYHHSXNFDBO-UHFFFAOYSA-N
XLogP2.54
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
1-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111335909
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46486165
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
3-[(3-ethoxy-4-methoxyphenyl)methylcarbamoylamino]propanoic acid
CID 122002229
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
2-(4-ethoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865748
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-phenylpropanamide;hydrochloride
CID 120592099
2-(2-bromo-4,5-diethoxyphenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 31553468
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-[(3-ethoxy-4-methoxyphenyl)methyl]cyclopentanecarboxamide
CID 99133680

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide (CID 119781593) is 2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide is CCOc1cc(CNC(=O)Cc2ccc(N)cc2)ccc1OC.
What is the InChIKey of 2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide?
The InChIKey is YDMYYHHSXNFDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-17-10-14(6-9-16(17)22-2)12-20-18(21)11-13-4-7-15(19)8-5-13/h4-10H,3,11-12,19H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide?
2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 119781593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).