N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide

C16H15N3O5 — CID 5063420

IUPACN-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NN=Cc1cc([N+](=O)[O-])c(O)cc1O
InChIInChI=1S/C16H15N3O5/c20-14-9-15(21)13(19(23)24)8-12(14)10-17-18-16(22)7-6-11-4-2-1-3-5-11/h1-5,8-10,20-21H,6-7H2,(H,18,22)
InChIKeyUOHOEUDIPWJQPH-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.09
Rot. Bonds6

About N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide

N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 5063420) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide
PubChem CID5063420
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NN=Cc1cc([N+](=O)[O-])c(O)cc1O
InChIInChI=1S/C16H15N3O5/c20-14-9-15(21)13(19(23)24)8-12(14)10-17-18-16(22)7-6-11-4-2-1-3-5-11/h1-5,8-10,20-21H,6-7H2,(H,18,22)
InChIKeyUOHOEUDIPWJQPH-UHFFFAOYSA-N
XLogP2.09
TPSA125.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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

N-[(Z)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-2-(4-hydroxyphenyl)acetamide
CID 136789425
N-[(E)-(3-hydroxy-4-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 44615989
N-[(E)-(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 6894812
N-[(2-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 796751
N-[(5-nitrofuran-2-yl)methylideneamino]-3-phenylpropanamide
CID 913455
N-[(E)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 136786960
N-[(E)-(2-methylphenyl)methylideneamino]-3-phenylpropanamide
CID 5338610
N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6062602
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]-3-phenylpropanamide
CID 135605985
N-[(E)-(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propanamide
CID 136787372
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 135813942
N'-[(E)-(5-hydroxy-2-nitrophenyl)methylideneamino]-N-(2-hydroxyphenyl)octanediamide
CID 44507727

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide (CID 5063420) is N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide is O=C(CCc1ccccc1)NN=Cc1cc([N+](=O)[O-])c(O)cc1O.
What is the InChIKey of N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is UOHOEUDIPWJQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c20-14-9-15(21)13(19(23)24)8-12(14)10-17-18-16(22)7-6-11-4-2-1-3-5-11/h1-5,8-10,20-21H,6-7H2,(H,18,22).
What are the key properties of N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide?
N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 329.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxy-5-nitrophenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 5063420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).