4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide

C14H20N2O4 — CID 86639069

IUPAC4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide
SMILESCON(C)C(=O)c1ccc(O)c(CN2CCOCC2)c1
InChIInChI=1S/C14H20N2O4/c1-15(19-2)14(18)11-3-4-13(17)12(9-11)10-16-5-7-20-8-6-16/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyBWCHNCYZKQTPPZ-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.86
Rot. Bonds4

About 4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide

4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide (PubChem CID 86639069) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide
PubChem CID86639069
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide
SMILESCON(C)C(=O)c1ccc(O)c(CN2CCOCC2)c1
InChIInChI=1S/C14H20N2O4/c1-15(19-2)14(18)11-3-4-13(17)12(9-11)10-16-5-7-20-8-6-16/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyBWCHNCYZKQTPPZ-UHFFFAOYSA-N
XLogP0.86
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-(1,4,7-trioxa-10-azacyclododec-10-ylmethyl)phenol
CID 11779275
methyl 4-amino-3-(morpholin-4-ylmethyl)benzoate
CID 142435878
4-[3-(dimethylamino)propyl]-2-(morpholin-4-ylmethyl)phenol
CID 170866768
2-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-oxoacetic acid
CID 117447646
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
4-[(Z)-3-[4-hydroxy-3-(pyrrolidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(pyrrolidin-1-ylmethyl)phenol
CID 46241970
(E)-3-(3,4-dimethoxyphenyl)-1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]prop-2-en-1-one
CID 8830206
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
4-[(E)-3-[4-hydroxy-3-(piperidin-1-ylmethyl)phenyl]but-2-en-2-yl]-2-(piperidin-1-ylmethyl)phenol
CID 46240602
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(morpholin-4-ylmethyl)benzamide
CID 8991176

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide?
The IUPAC name of 4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide (CID 86639069) is 4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide?
The canonical SMILES for 4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide is CON(C)C(=O)c1ccc(O)c(CN2CCOCC2)c1.
What is the InChIKey of 4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide?
The InChIKey is BWCHNCYZKQTPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-15(19-2)14(18)11-3-4-13(17)12(9-11)10-16-5-7-20-8-6-16/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide?
4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide has a molecular weight of 280.32 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methoxy-N-methyl-3-(morpholin-4-ylmethyl)benzamide is sourced from PubChem (CID 86639069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).