2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide

C22H28N4O3 — CID 10111369

IUPAC2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
SMILES[H]/N=C(\N)c1cccc(OC(C(=O)NCCCN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C22H28N4O3/c23-21(24)18-8-4-9-19(16-18)29-20(17-6-2-1-3-7-17)22(27)25-10-5-11-26-12-14-28-15-13-26/h1-4,6-9,16,20H,5,10-15H2,(H3,23,24)(H,25,27)
InChIKeyCBKCYTBYDRNBGL-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.93
Rot. Bonds9

About 2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide

2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide (PubChem CID 10111369) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
PubChem CID10111369
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
SMILES[H]/N=C(\N)c1cccc(OC(C(=O)NCCCN2CCOCC2)c2ccccc2)c1
InChIInChI=1S/C22H28N4O3/c23-21(24)18-8-4-9-19(16-18)29-20(17-6-2-1-3-7-17)22(27)25-10-5-11-26-12-14-28-15-13-26/h1-4,6-9,16,20H,5,10-15H2,(H3,23,24)(H,25,27)
InChIKeyCBKCYTBYDRNBGL-UHFFFAOYSA-N
XLogP1.93
TPSA100.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-cyclopentyloxy-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 95284676
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 55628607
2-(3-carbamimidoylphenoxy)-N-(4-morpholin-4-ylphenyl)pentanamide
CID 10200785
N-[3-(morpholin-4-ylmethyl)phenyl]-2-phenoxy-2-phenylacetamide
CID 47776428
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
2-(3,4-difluorophenoxy)-N-(4-morpholin-4-ylbutan-2-yl)-2-phenylacetamide
CID 86950916
2-amino-N-(2-morpholin-4-ylethyl)-2-phenylacetamide;dihydrochloride
CID 119827759
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
(2R)-N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92679375
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
2-(3-morpholin-4-ylpropylamino)-1-phenylpropan-1-one
CID 82100038
2-[(2,2-diphenylacetyl)amino]-4-methyl-N-[1-(3-morpholin-4-ylpropylamino)-1-oxobutan-2-yl]pentanamide
CID 11512168

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide?
The IUPAC name of 2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide (CID 10111369) is 2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide.
What is the SMILES notation for 2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide?
The canonical SMILES for 2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide is [H]/N=C(\N)c1cccc(OC(C(=O)NCCCN2CCOCC2)c2ccccc2)c1.
What is the InChIKey of 2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide?
The InChIKey is CBKCYTBYDRNBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c23-21(24)18-8-4-9-19(16-18)29-20(17-6-2-1-3-7-17)22(27)25-10-5-11-26-12-14-28-15-13-26/h1-4,6-9,16,20H,5,10-15H2,(H3,23,24)(H,25,27).
What are the key properties of 2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide?
2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide has a molecular weight of 396.49 g/mol, XLogP of 1.93, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamimidoylphenoxy)-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide is sourced from PubChem (CID 10111369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).