2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide

C21H28N2O3 — CID 120593763

IUPAC2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
SMILESCCOCCOCc1cccc(NC(=O)C(C)(N)c2ccccc2)c1C
InChIInChI=1S/C21H28N2O3/c1-4-25-13-14-26-15-17-9-8-12-19(16(17)2)23-20(24)21(3,22)18-10-6-5-7-11-18/h5-12H,4,13-15,22H2,1-3H3,(H,23,24)
InChIKeyDKSARWNEIPQLIV-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.36
Rot. Bonds9

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

2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide (PubChem CID 120593763) 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-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
PubChem CID120593763
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
SMILESCCOCCOCc1cccc(NC(=O)C(C)(N)c2ccccc2)c1C
InChIInChI=1S/C21H28N2O3/c1-4-25-13-14-26-15-17-9-8-12-19(16(17)2)23-20(24)21(3,22)18-10-6-5-7-11-18/h5-12H,4,13-15,22H2,1-3H3,(H,23,24)
InChIKeyDKSARWNEIPQLIV-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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
N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride
CID 120590106
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120669002
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119810601
4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120936001
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610
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-phenylpropanamide?
The IUPAC name of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide (CID 120593763) is 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide is CCOCCOCc1cccc(NC(=O)C(C)(N)c2ccccc2)c1C.
What is the InChIKey of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide?
The InChIKey is DKSARWNEIPQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-4-25-13-14-26-15-17-9-8-12-19(16(17)2)23-20(24)21(3,22)18-10-6-5-7-11-18/h5-12H,4,13-15,22H2,1-3H3,(H,23,24).
What are the key properties of 2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide?
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide has a molecular weight of 356.47 g/mol, XLogP of 3.36, 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-phenylpropanamide is sourced from PubChem (CID 120593763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).