4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide

C18H22N2O4 — CID 503325

IUPAC4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide
SMILESCCOc1cc(O)c(C(=O)NCc2ccc(NC)cc2)c(OC)c1
InChIInChI=1S/C18H22N2O4/c1-4-24-14-9-15(21)17(16(10-14)23-3)18(22)20-11-12-5-7-13(19-2)8-6-12/h5-10,19,21H,4,11H2,1-3H3,(H,20,22)
InChIKeyHUTODGKKXZEUCM-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.77
Rot. Bonds7

About 4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide

4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide (PubChem CID 503325) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide
PubChem CID503325
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide
SMILESCCOc1cc(O)c(C(=O)NCc2ccc(NC)cc2)c(OC)c1
InChIInChI=1S/C18H22N2O4/c1-4-24-14-9-15(21)17(16(10-14)23-3)18(22)20-11-12-5-7-13(19-2)8-6-12/h5-10,19,21H,4,11H2,1-3H3,(H,20,22)
InChIKeyHUTODGKKXZEUCM-UHFFFAOYSA-N
XLogP2.77
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide?
The IUPAC name of 4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide (CID 503325) is 4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide?
The canonical SMILES for 4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide is CCOc1cc(O)c(C(=O)NCc2ccc(NC)cc2)c(OC)c1.
What is the InChIKey of 4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide?
The InChIKey is HUTODGKKXZEUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-24-14-9-15(21)17(16(10-14)23-3)18(22)20-11-12-5-7-13(19-2)8-6-12/h5-10,19,21H,4,11H2,1-3H3,(H,20,22).
What are the key properties of 4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide?
4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide has a molecular weight of 330.38 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-hydroxy-6-methoxy-N-[[4-(methylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 503325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).