2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide

C27H27N3O3 — CID 42911722

IUPAC2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(Nc1ccc(-c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H27N3O3/c1-19(27(31)29-23-10-12-24(13-11-23)30-14-16-32-17-15-30)28-22-8-6-20(7-9-22)26-18-21-4-2-3-5-25(21)33-26/h2-13,18-19,28H,14-17H2,1H3,(H,29,31)
InChIKeyKDWFEDCUIFBJAE-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.38
Rot. Bonds6

About 2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide

2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide (PubChem CID 42911722) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide
PubChem CID42911722
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide
SMILESCC(Nc1ccc(-c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C27H27N3O3/c1-19(27(31)29-23-10-12-24(13-11-23)30-14-16-32-17-15-30)28-22-8-6-20(7-9-22)26-18-21-4-2-3-5-25(21)33-26/h2-13,18-19,28H,14-17H2,1H3,(H,29,31)
InChIKeyKDWFEDCUIFBJAE-UHFFFAOYSA-N
XLogP5.38
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(4-morpholin-4-ylphenyl)-2-(4-phenylanilino)propanamide
CID 7509574
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 60592778
2-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 60638930
N-(4-morpholin-4-ylphenyl)-2-(4-quinolin-8-yloxyanilino)propanamide
CID 60601558
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
2-[1-(2-chlorophenyl)ethylamino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 51168773
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 7752429
N-(4-acetamidophenyl)-2-[4-(4-ethylpiperazin-1-yl)anilino]propanamide
CID 18532520
(2R)-N-(4-morpholin-4-ylphenyl)-2-phenylsulfanylpropanamide
CID 2079704
2-(1-benzofuran-2-yl)-N-[4-(1,2,4-triazol-4-yl)phenyl]propanamide
CID 91653293
(2S)-2-(cyclohexylamino)-N-(4-morpholin-4-ylphenyl)propanamide
CID 7928372
(2R)-N-(2-chloro-4-nitrophenyl)-2-(4-morpholin-4-ylanilino)propanamide
CID 8023654

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide (CID 42911722) is 2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide is CC(Nc1ccc(-c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide?
The InChIKey is KDWFEDCUIFBJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19(27(31)29-23-10-12-24(13-11-23)30-14-16-32-17-15-30)28-22-8-6-20(7-9-22)26-18-21-4-2-3-5-25(21)33-26/h2-13,18-19,28H,14-17H2,1H3,(H,29,31).
What are the key properties of 2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide?
2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide has a molecular weight of 441.53 g/mol, XLogP of 5.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)anilino]-N-(4-morpholin-4-ylphenyl)propanamide is sourced from PubChem (CID 42911722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).