2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide

C21H28N2O3 — CID 120669002

IUPAC2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide
SMILESCCOCCOCc1cccc(NC(=O)C(N)c2ccc(C)cc2)c1C
InChIInChI=1S/C21H28N2O3/c1-4-25-12-13-26-14-18-6-5-7-19(16(18)3)23-21(24)20(22)17-10-8-15(2)9-11-17/h5-11,20H,4,12-14,22H2,1-3H3,(H,23,24)
InChIKeyUDZHLIABIFNHDO-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.50
Rot. Bonds9

About 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide

2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide (PubChem CID 120669002) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide
PubChem CID120669002
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide
SMILESCCOCCOCc1cccc(NC(=O)C(N)c2ccc(C)cc2)c1C
InChIInChI=1S/C21H28N2O3/c1-4-25-12-13-26-14-18-6-5-7-19(16(18)3)23-21(24)20(22)17-10-8-15(2)9-11-17/h5-11,20H,4,12-14,22H2,1-3H3,(H,23,24)
InChIKeyUDZHLIABIFNHDO-UHFFFAOYSA-N
XLogP3.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
CID 119338953
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride
CID 119338952
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
CID 119810588
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119810587
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
CID 166406189
2-amino-2-(4-methylphenyl)-N-(2-propylphenyl)acetamide
CID 106312114
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
CID 120593763
2-[[2-amino-2-(4-methylphenyl)acetyl]amino]benzoic acid
CID 106312235
2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119810601
2-amino-2-(4-methylphenyl)-N-(2-methylsulfanylphenyl)acetamide
CID 106312111
4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120936001
1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea
CID 71971050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide (CID 120669002) is 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide is CCOCCOCc1cccc(NC(=O)C(N)c2ccc(C)cc2)c1C.
What is the InChIKey of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide?
The InChIKey is UDZHLIABIFNHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-25-12-13-26-14-18-6-5-7-19(16(18)3)23-21(24)20(22)17-10-8-15(2)9-11-17/h5-11,20H,4,12-14,22H2,1-3H3,(H,23,24).
What are the key properties of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide?
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 120669002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).