2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C21H26N2O3 — CID 28784276

IUPAC2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-2-26-20-9-5-17(6-10-20)15-21(24)22-16-18-3-7-19(8-4-18)23-11-13-25-14-12-23/h3-10H,2,11-16H2,1H3,(H,22,24)
InChIKeyNPLPNMUODGSPJL-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.78
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 28784276) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID28784276
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESCCOc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3/c1-2-26-20-9-5-17(6-10-20)15-21(24)22-16-18-3-7-19(8-4-18)23-11-13-25-14-12-23/h3-10H,2,11-16H2,1H3,(H,22,24)
InChIKeyNPLPNMUODGSPJL-UHFFFAOYSA-N
XLogP2.78
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 125145042
2-(3-ethoxy-N-methylsulfonylanilino)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 30272515
2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
CID 110601075
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
N-[2-(diethylamino)propyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110620370
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923197
2-[(4-ethoxyphenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115593323

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 28784276) is 2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is CCOc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is NPLPNMUODGSPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-26-20-9-5-17(6-10-20)15-21(24)22-16-18-3-7-19(8-4-18)23-11-13-25-14-12-23/h3-10H,2,11-16H2,1H3,(H,22,24).
What are the key properties of 2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 28784276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).