2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide

C17H19N3O4 — CID 135493661

IUPAC2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
SMILESCOc1cc(/C=N/NC(=O)C(N)Cc2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H19N3O4/c1-24-16-9-12(4-7-15(16)22)10-19-20-17(23)14(18)8-11-2-5-13(21)6-3-11/h2-7,9-10,14,21-22H,8,18H2,1H3,(H,20,23)/b19-10+
InChIKeyCHHJFLAURAZPIA-VXLYETTFSA-N
MW329.36 g/mol
LogP1.13
Rot. Bonds6

About 2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide

2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide (PubChem CID 135493661) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
PubChem CID135493661
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
SMILESCOc1cc(/C=N/NC(=O)C(N)Cc2ccc(O)cc2)ccc1O
InChIInChI=1S/C17H19N3O4/c1-24-16-9-12(4-7-15(16)22)10-19-20-17(23)14(18)8-11-2-5-13(21)6-3-11/h2-7,9-10,14,21-22H,8,18H2,1H3,(H,20,23)/b19-10+
InChIKeyCHHJFLAURAZPIA-VXLYETTFSA-N
XLogP1.13
TPSA117.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide (CID 135493661) is 2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide is COc1cc(/C=N/NC(=O)C(N)Cc2ccc(O)cc2)ccc1O.
What is the InChIKey of 2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is CHHJFLAURAZPIA-VXLYETTFSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-24-16-9-12(4-7-15(16)22)10-19-20-17(23)14(18)8-11-2-5-13(21)6-3-11/h2-7,9-10,14,21-22H,8,18H2,1H3,(H,20,23)/b19-10+.
What are the key properties of 2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 329.36 g/mol, XLogP of 1.13, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 135493661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).