1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone

C21H26N2O3 — CID 54825335

IUPAC1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone
SMILESO=C(CNc1ccc(OCCCc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C21H26N2O3/c24-21(23-12-15-25-16-13-23)17-22-19-8-10-20(11-9-19)26-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,22H,4,7,12-17H2
InChIKeyGAONRZPQDIXUDW-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.97
Rot. Bonds8

About 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone

1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone (PubChem CID 54825335) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone
PubChem CID54825335
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone
SMILESO=C(CNc1ccc(OCCCc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C21H26N2O3/c24-21(23-12-15-25-16-13-23)17-22-19-8-10-20(11-9-19)26-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,22H,4,7,12-17H2
InChIKeyGAONRZPQDIXUDW-UHFFFAOYSA-N
XLogP2.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54832122
2-[4-(3-methylbutoxy)anilino]-1-morpholin-4-ylethanone
CID 54821789
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethoxy)anilino]ethanone
CID 54823733
1-morpholin-4-yl-2-(4-prop-2-enoxyanilino)ethanone
CID 54821508
2-[3-(3-phenylpropoxy)anilino]-1-piperidin-1-ylethanone
CID 54828029
1-morpholin-4-yl-2-(2-phenylmethoxyanilino)ethanone
CID 54828242
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
4-[4-(methylamino)phenoxy]-1-morpholin-4-ylbutan-1-one
CID 61028358
methyl 4-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 26417352
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825406

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone (CID 54825335) is 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone is O=C(CNc1ccc(OCCCc2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone?
The InChIKey is GAONRZPQDIXUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c24-21(23-12-15-25-16-13-23)17-22-19-8-10-20(11-9-19)26-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,22H,4,7,12-17H2.
What are the key properties of 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone?
1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone has a molecular weight of 354.45 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-(3-phenylpropoxy)anilino]ethanone is sourced from PubChem (CID 54825335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).