N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide

C20H23N3O2 — CID 135439753

IUPACN-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide
SMILESC=CCc1cccc(/C=N/NC(=O)C(C)Nc2cccc(C)c2)c1O
InChIInChI=1S/C20H23N3O2/c1-4-7-16-9-6-10-17(19(16)24)13-21-23-20(25)15(3)22-18-11-5-8-14(2)12-18/h4-6,8-13,15,22,24H,1,7H2,2-3H3,(H,23,25)/b21-13+
InChIKeyUAQFQNOLRDOQNB-FYJGNVAPSA-N
MW337.42 g/mol
LogP3.38
Rot. Bonds7

About N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide

N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide (PubChem CID 135439753) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide
PubChem CID135439753
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide
SMILESC=CCc1cccc(/C=N/NC(=O)C(C)Nc2cccc(C)c2)c1O
InChIInChI=1S/C20H23N3O2/c1-4-7-16-9-6-10-17(19(16)24)13-21-23-20(25)15(3)22-18-11-5-8-14(2)12-18/h4-6,8-13,15,22,24H,1,7H2,2-3H3,(H,23,25)/b21-13+
InChIKeyUAQFQNOLRDOQNB-FYJGNVAPSA-N
XLogP3.38
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide (CID 135439753) is N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide is C=CCc1cccc(/C=N/NC(=O)C(C)Nc2cccc(C)c2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide?
The InChIKey is UAQFQNOLRDOQNB-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-7-16-9-6-10-17(19(16)24)13-21-23-20(25)15(3)22-18-11-5-8-14(2)12-18/h4-6,8-13,15,22,24H,1,7H2,2-3H3,(H,23,25)/b21-13+.
What are the key properties of N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide?
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)propanamide is sourced from PubChem (CID 135439753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).