N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide

C29H33N3O3 — CID 55342172

IUPACN-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C29H33N3O3/c1-2-31(22-28(33)30-25-14-16-26(17-15-25)32-18-20-35-21-19-32)29(34)27-11-7-6-10-24(27)13-12-23-8-4-3-5-9-23/h3-11,14-17H,2,12-13,18-22H2,1H3,(H,30,33)
InChIKeyMKQQAFXPMUXPDB-UHFFFAOYSA-N
MW471.60 g/mol
LogP4.41
Rot. Bonds9

About N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide

N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide (PubChem CID 55342172) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
PubChem CID55342172
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide
SMILESCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1CCc1ccccc1
InChIInChI=1S/C29H33N3O3/c1-2-31(22-28(33)30-25-14-16-26(17-15-25)32-18-20-35-21-19-32)29(34)27-11-7-6-10-24(27)13-12-23-8-4-3-5-9-23/h3-11,14-17H,2,12-13,18-22H2,1H3,(H,30,33)
InChIKeyMKQQAFXPMUXPDB-UHFFFAOYSA-N
XLogP4.41
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55342013
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 51156383
N-ethyl-2-(2-fluorophenyl)-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 8960473
2-bromo-N-ethyl-4-fluoro-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 55388550
N-ethyl-2,2-dimethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]propanamide
CID 51156382
N-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 71944686
N-ethyl-2-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]butanamide
CID 51331192
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 27200195
2-hydroxy-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51143460
N-ethyl-3-fluoro-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]benzamide
CID 51230349
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-4-nitrobenzamide
CID 8960451
6-chloro-N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pyridine-3-carboxamide
CID 55342135

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide?
The IUPAC name of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide (CID 55342172) is N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide is CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1CCc1ccccc1.
What is the InChIKey of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide?
The InChIKey is MKQQAFXPMUXPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-2-31(22-28(33)30-25-14-16-26(17-15-25)32-18-20-35-21-19-32)29(34)27-11-7-6-10-24(27)13-12-23-8-4-3-5-9-23/h3-11,14-17H,2,12-13,18-22H2,1H3,(H,30,33).
What are the key properties of N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide?
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide has a molecular weight of 471.60 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 55342172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).