N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide

C16H16N2O3 — CID 135536388

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H16N2O3/c19-14-8-7-13(15(20)10-14)11-17-18-16(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,19-20H,6,9H2,(H,18,21)/b17-11+
InChIKeyDCRSFVRJZBIQOQ-GZTJUZNOSA-N
MW284.32 g/mol
LogP2.18
Rot. Bonds5

About N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide (PubChem CID 135536388) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide
PubChem CID135536388
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C16H16N2O3/c19-14-8-7-13(15(20)10-14)11-17-18-16(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,19-20H,6,9H2,(H,18,21)/b17-11+
InChIKeyDCRSFVRJZBIQOQ-GZTJUZNOSA-N
XLogP2.18
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide (CID 135536388) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide is O=C(CCc1ccccc1)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide?
The InChIKey is DCRSFVRJZBIQOQ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H16N2O3/c19-14-8-7-13(15(20)10-14)11-17-18-16(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10-11,19-20H,6,9H2,(H,18,21)/b17-11+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide has a molecular weight of 284.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 135536388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).