4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide

C18H21N3O4 — CID 135518263

IUPAC4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(O)c(/C=N/NC(=O)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C18H21N3O4/c1-21(2)13-7-5-12(6-8-13)18(23)20-19-11-15-16(22)9-14(24-3)10-17(15)25-4/h5-11,22H,1-4H3,(H,20,23)/b19-11+
InChIKeyXHOOTGMFDOYGCD-YBFXNURJSA-N
MW343.38 g/mol
LogP2.24
Rot. Bonds6

About 4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide

4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 135518263) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID135518263
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1cc(O)c(/C=N/NC(=O)c2ccc(N(C)C)cc2)c(OC)c1
InChIInChI=1S/C18H21N3O4/c1-21(2)13-7-5-12(6-8-13)18(23)20-19-11-15-16(22)9-14(24-3)10-17(15)25-4/h5-11,22H,1-4H3,(H,20,23)/b19-11+
InChIKeyXHOOTGMFDOYGCD-YBFXNURJSA-N
XLogP2.24
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide (CID 135518263) is 4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide is COc1cc(O)c(/C=N/NC(=O)c2ccc(N(C)C)cc2)c(OC)c1.
What is the InChIKey of 4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is XHOOTGMFDOYGCD-YBFXNURJSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-21(2)13-7-5-12(6-8-13)18(23)20-19-11-15-16(22)9-14(24-3)10-17(15)25-4/h5-11,22H,1-4H3,(H,20,23)/b19-11+.
What are the key properties of 4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide?
4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 343.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(E)-(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135518263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).