(2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide

C23H21N3O4 — CID 7613372

IUPAC(2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)O/N=C(/N)c1ccccc1)oc1ccccc12
InChIInChI=1S/C23H21N3O4/c1-14(30-26-22(24)15-8-4-3-5-9-15)23(27)25-18-13-20-17(12-21(18)28-2)16-10-6-7-11-19(16)29-20/h3-14H,1-2H3,(H2,24,26)(H,25,27)/t14-/m1/s1
InChIKeyBTZFKLPZQBRTIC-CQSZACIVSA-N
MW403.44 g/mol
LogP4.26
Rot. Bonds6

About (2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide

(2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide (PubChem CID 7613372) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is (2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide
PubChem CID7613372
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name(2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide
SMILESCOc1cc2c(cc1NC(=O)[C@@H](C)O/N=C(/N)c1ccccc1)oc1ccccc12
InChIInChI=1S/C23H21N3O4/c1-14(30-26-22(24)15-8-4-3-5-9-15)23(27)25-18-13-20-17(12-21(18)28-2)16-10-6-7-11-19(16)29-20/h3-14H,1-2H3,(H2,24,26)(H,25,27)/t14-/m1/s1
InChIKeyBTZFKLPZQBRTIC-CQSZACIVSA-N
XLogP4.26
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-benzamido-3-methylbutanoate
CID 5004378
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2R)-2-hydroxy-2-phenylacetate
CID 7821691
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821695
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-aminobenzoate
CID 7890835
(2R)-2-(carbamoylamino)-N-(2-methoxydibenzofuran-3-yl)-3-methylbutanamide
CID 40799365
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] cyclopentanecarboxylate
CID 7717571
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 2-methoxybenzoate
CID 7811454
(2S)-2-(2-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7815222
[(2S)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 7783804
[1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 3980526
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
2-(4-acetamidophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4805328

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide?
The IUPAC name of (2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide (CID 7613372) is (2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide?
The canonical SMILES for (2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide is COc1cc2c(cc1NC(=O)[C@@H](C)O/N=C(/N)c1ccccc1)oc1ccccc12.
What is the InChIKey of (2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide?
The InChIKey is BTZFKLPZQBRTIC-CQSZACIVSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14(30-26-22(24)15-8-4-3-5-9-15)23(27)25-18-13-20-17(12-21(18)28-2)16-10-6-7-11-19(16)29-20/h3-14H,1-2H3,(H2,24,26)(H,25,27)/t14-/m1/s1.
What are the key properties of (2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide?
(2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide has a molecular weight of 403.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-[amino(phenyl)methylidene]amino]oxy-N-(2-methoxydibenzofuran-3-yl)propanamide is sourced from PubChem (CID 7613372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).