2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide

C25H24N4O4 — CID 10297265

IUPAC2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
SMILES[H]/N=C(\N)c1cccc(OC(C(=O)Nc2ccc(N3CCOCC3=O)cc2)c2ccccc2)c1
InChIInChI=1S/C25H24N4O4/c26-24(27)18-7-4-8-21(15-18)33-23(17-5-2-1-3-6-17)25(31)28-19-9-11-20(12-10-19)29-13-14-32-16-22(29)30/h1-12,15,23H,13-14,16H2,(H3,26,27)(H,28,31)
InChIKeyOWEAGENFVFFYJI-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.09
Rot. Bonds7

About 2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide

2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide (PubChem CID 10297265) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
PubChem CID10297265
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
SMILES[H]/N=C(\N)c1cccc(OC(C(=O)Nc2ccc(N3CCOCC3=O)cc2)c2ccccc2)c1
InChIInChI=1S/C25H24N4O4/c26-24(27)18-7-4-8-21(15-18)33-23(17-5-2-1-3-6-17)25(31)28-19-9-11-20(12-10-19)29-13-14-32-16-22(29)30/h1-12,15,23H,13-14,16H2,(H3,26,27)(H,28,31)
InChIKeyOWEAGENFVFFYJI-UHFFFAOYSA-N
XLogP3.09
TPSA117.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-carbamimidoylphenoxy)-N-[2-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337970
2-amino-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide
CID 69444352
2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 10111369
2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide
CID 10200785
[1-(3-carbamimidoylphenoxy)-2-oxo-2-[4-(2-oxopiperidin-1-yl)anilino]ethyl] acetate
CID 141059156
2-(3-carbamimidoylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]pentanamide
CID 10223170
2-[3-(aminomethyl)phenoxy]-N-[4-(2-oxopiperidin-1-yl)phenyl]-2-phenylacetamide
CID 69337127
2-(3-carbamimidoylphenoxy)-2-phenyl-N-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]acetamide
CID 142029841
2-(3-carbamimidoylphenoxy)-N-(5-chloro-2-methyl-4-pyrrol-1-ylphenyl)-2-phenylacetamide
CID 142029871
2-(7-carbamimidoylnaphthalen-2-yl)oxy-N-[4-(2-methylsulfonylphenyl)phenyl]-2-phenylacetamide
CID 20870622
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079
[2-(4-carbamimidoyl-3-chloroanilino)-2-oxo-1-[3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]ethyl] acetate
CID 76717235

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide?
The IUPAC name of 2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide (CID 10297265) is 2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for 2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide is [H]/N=C(\N)c1cccc(OC(C(=O)Nc2ccc(N3CCOCC3=O)cc2)c2ccccc2)c1.
What is the InChIKey of 2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide?
The InChIKey is OWEAGENFVFFYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c26-24(27)18-7-4-8-21(15-18)33-23(17-5-2-1-3-6-17)25(31)28-19-9-11-20(12-10-19)29-13-14-32-16-22(29)30/h1-12,15,23H,13-14,16H2,(H3,26,27)(H,28,31).
What are the key properties of 2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide?
2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide has a molecular weight of 444.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamimidoylphenoxy)-N-[4-(3-oxomorpholin-4-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 10297265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).