(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide

C25H27N3O2 — CID 7509574

IUPAC(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
SMILESC[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O2/c1-19(26-22-9-7-21(8-10-22)20-5-3-2-4-6-20)25(29)27-23-11-13-24(14-12-23)28-15-17-30-18-16-28/h2-14,19,26H,15-18H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyZGKOTWYZWLVFKE-IBGZPJMESA-N
MW401.51 g/mol
LogP4.63
Rot. Bonds6

About (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide

(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide (PubChem CID 7509574) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
PubChem CID7509574
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
SMILESC[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C25H27N3O2/c1-19(26-22-9-7-21(8-10-22)20-5-3-2-4-6-20)25(29)27-23-11-13-24(14-12-23)28-15-17-30-18-16-28/h2-14,19,26H,15-18H2,1H3,(H,27,29)/t19-/m0/s1
InChIKeyZGKOTWYZWLVFKE-IBGZPJMESA-N
XLogP4.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.63
H-Bond Donors ≤ 52
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-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 42911722
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
2-[1-(2-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168773
4-[2-(4-phenylanilino)propanoylamino]benzamide
CID 78667343
(2S)-N-(4-morpholin-4-ylphenyl)-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]propanamide
CID 9030001
(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7928372
1,1-dimethyl-3-[4-(4-morpholin-4-ylphenyl)phenyl]urea
CID 72939182
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 60592778

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide?
The IUPAC name of (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide (CID 7509574) is (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide.
What is the SMILES notation for (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide?
The canonical SMILES for (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide is C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide?
The InChIKey is ZGKOTWYZWLVFKE-IBGZPJMESA-N. The full InChI is InChI=1S/C25H27N3O2/c1-19(26-22-9-7-21(8-10-22)20-5-3-2-4-6-20)25(29)27-23-11-13-24(14-12-23)28-15-17-30-18-16-28/h2-14,19,26H,15-18H2,1H3,(H,27,29)/t19-/m0/s1.
What are the key properties of (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide?
(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide has a molecular weight of 401.51 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide is sourced from PubChem (CID 7509574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).