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

C18H21N3O4 — CID 135493662

IUPAC2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
SMILESCCOc1cccc(/C=N/NC(=O)C(N)Cc2ccc(O)cc2)c1O
InChIInChI=1S/C18H21N3O4/c1-2-25-16-5-3-4-13(17(16)23)11-20-21-18(24)15(19)10-12-6-8-14(22)9-7-12/h3-9,11,15,22-23H,2,10,19H2,1H3,(H,21,24)/b20-11+
InChIKeyWCIVWAFEQRECEZ-RGVLZGJSSA-N
MW343.38 g/mol
LogP1.52
Rot. Bonds7

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

2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide (PubChem CID 135493662) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
PubChem CID135493662
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide
SMILESCCOc1cccc(/C=N/NC(=O)C(N)Cc2ccc(O)cc2)c1O
InChIInChI=1S/C18H21N3O4/c1-2-25-16-5-3-4-13(17(16)23)11-20-21-18(24)15(19)10-12-6-8-14(22)9-7-12/h3-9,11,15,22-23H,2,10,19H2,1H3,(H,21,24)/b20-11+
InChIKeyWCIVWAFEQRECEZ-RGVLZGJSSA-N
XLogP1.52
TPSA117.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.52
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
5-bromo-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]furan-2-carboxamide
CID 135489071
2-amino-N-[(E)-(2-hydroxyphenyl)methylideneamino]-3-phenylpropanamide
CID 177413584
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2-methylpropanamide
CID 94833649
2-amino-N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 136787439
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]dodecanamide
CID 3536495
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-hydroxy-3-methylbenzamide
CID 139083037
4-bromo-N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 1356754
N-[(Z)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-4-(2-methylpropyl)benzenesulfonamide
CID 135647683
2-chloro-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135578299
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 135717463
N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-methoxybenzamide
CID 3632483

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of 2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide (CID 135493662) is 2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide is CCOc1cccc(/C=N/NC(=O)C(N)Cc2ccc(O)cc2)c1O.
What is the InChIKey of 2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is WCIVWAFEQRECEZ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-2-25-16-5-3-4-13(17(16)23)11-20-21-18(24)15(19)10-12-6-8-14(22)9-7-12/h3-9,11,15,22-23H,2,10,19H2,1H3,(H,21,24)/b20-11+.
What are the key properties of 2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide?
2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 343.38 g/mol, XLogP of 1.52, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 135493662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).