N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide

C23H28N2O3 — CID 56922873

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H28N2O3/c26-22(23(10-14-27-15-11-23)20-4-2-1-3-5-20)24-18-19-6-8-21(9-7-19)25-12-16-28-17-13-25/h1-9H,10-18H2,(H,24,26)
InChIKeyIERFFDZIVFJCKN-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.89
Rot. Bonds5

About N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide

N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide (PubChem CID 56922873) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
PubChem CID56922873
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCc1ccc(N2CCOCC2)cc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C23H28N2O3/c26-22(23(10-14-27-15-11-23)20-4-2-1-3-5-20)24-18-19-6-8-21(9-7-19)25-12-16-28-17-13-25/h1-9H,10-18H2,(H,24,26)
InChIKeyIERFFDZIVFJCKN-UHFFFAOYSA-N
XLogP2.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-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-[(4-morpholin-4-ylphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922098
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199
1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 75417030
4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46951727
4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
N'-benzyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]oxamide
CID 16891636
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 51092485
4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46977998
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
4-[[(1-phenylcyclohexanecarbonyl)amino]methyl]benzoic acid
CID 134561755

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide (CID 56922873) is N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide is O=C(NCc1ccc(N2CCOCC2)cc1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide?
The InChIKey is IERFFDZIVFJCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c26-22(23(10-14-27-15-11-23)20-4-2-1-3-5-20)24-18-19-6-8-21(9-7-19)25-12-16-28-17-13-25/h1-9H,10-18H2,(H,24,26).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide?
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 56922873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).