(2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide

C22H19N3O5 — CID 135682567

IUPAC(2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
SMILESC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C22H19N3O5/c1-15(30-20-10-7-17(8-11-20)16-5-3-2-4-6-16)22(27)24-23-14-18-13-19(25(28)29)9-12-21(18)26/h2-15,26H,1H3,(H,24,27)/t15-/m1/s1
InChIKeyXSKCOCNMIADCPT-OAHLLOKOSA-N
MW405.41 g/mol
LogP3.88
Rot. Bonds7

About (2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide

(2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide (PubChem CID 135682567) has the molecular formula C22H19N3O5 and a molecular weight of 405.41 g/mol. Its IUPAC name is (2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
PubChem CID135682567
Molecular FormulaC22H19N3O5
Molecular Weight405.41 g/mol
Exact Mass405.13
IUPAC Name(2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
SMILESC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C22H19N3O5/c1-15(30-20-10-7-17(8-11-20)16-5-3-2-4-6-16)22(27)24-23-14-18-13-19(25(28)29)9-12-21(18)26/h2-15,26H,1H3,(H,24,27)/t15-/m1/s1
InChIKeyXSKCOCNMIADCPT-OAHLLOKOSA-N
XLogP3.88
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromophenoxy)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135472513
(2R)-2-(3-chlorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]propanamide
CID 135783828
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 135619152
N-[(2S)-1-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 135479231
N-[(2S,3R)-1-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 137231638
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 4050443
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 135715705
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 5147897
(2R)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 136766986
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(4-nitrophenoxy)propanamide
CID 135659369
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 19208277
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135683234

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide (CID 135682567) is (2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide is C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NN=Cc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of (2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide?
The InChIKey is XSKCOCNMIADCPT-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H19N3O5/c1-15(30-20-10-7-17(8-11-20)16-5-3-2-4-6-16)22(27)24-23-14-18-13-19(25(28)29)9-12-21(18)26/h2-15,26H,1H3,(H,24,27)/t15-/m1/s1.
What are the key properties of (2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide?
(2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide has a molecular weight of 405.41 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 135682567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).