4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide

C25H32N2O4 — CID 46977488

IUPAC4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)c3ccc(N4CCOCC4)cc3)CCOCC2)cc1
InChIInChI=1S/C25H32N2O4/c1-19(20-3-7-22(8-4-20)27-13-17-31-18-14-27)26-24(28)25(11-15-30-16-12-25)21-5-9-23(29-2)10-6-21/h3-10,19H,11-18H2,1-2H3,(H,26,28)
InChIKeyUSOUCRVCUKRRKT-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.46
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide

4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide (PubChem CID 46977488) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
PubChem CID46977488
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)NC(C)c3ccc(N4CCOCC4)cc3)CCOCC2)cc1
InChIInChI=1S/C25H32N2O4/c1-19(20-3-7-22(8-4-20)27-13-17-31-18-14-27)26-24(28)25(11-15-30-16-12-25)21-5-9-23(29-2)10-6-21/h3-10,19H,11-18H2,1-2H3,(H,26,28)
InChIKeyUSOUCRVCUKRRKT-UHFFFAOYSA-N
XLogP3.46
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide 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

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 92612308
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(4-methoxyphenyl)oxane-4-carboxamide
CID 46979727
4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988
2-(4-methoxyphenoxy)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48664298
4-(2-fluorophenyl)-N-[(1S)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614088
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
N-[1-(4-methoxyphenyl)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 110437540
1-(3-chlorophenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]cyclobutane-1-carboxamide
CID 48664321
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
4-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115439766
4-(4-methoxyphenyl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]oxane-4-carboxamide
CID 86207187

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide (CID 46977488) is 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide is COc1ccc(C2(C(=O)NC(C)c3ccc(N4CCOCC4)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
The InChIKey is USOUCRVCUKRRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-19(20-3-7-22(8-4-20)27-13-17-31-18-14-27)26-24(28)25(11-15-30-16-12-25)21-5-9-23(29-2)10-6-21/h3-10,19H,11-18H2,1-2H3,(H,26,28).
What are the key properties of 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide is sourced from PubChem (CID 46977488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).