3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide

C18H23N5O5 — CID 122253694

IUPAC3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
SMILESCOc1nc(CNC(=O)c2ccc(OC)c(OC)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23N5O5/c1-25-13-5-4-12(10-14(13)26-2)16(24)19-11-15-20-17(22-18(21-15)27-3)23-6-8-28-9-7-23/h4-5,10H,6-9,11H2,1-3H3,(H,19,24)
InChIKeyHIKQGFCQCPMFQH-UHFFFAOYSA-N
MW389.41 g/mol
LogP0.66
Rot. Bonds7

About 3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide

3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide (PubChem CID 122253694) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
PubChem CID122253694
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
SMILESCOc1nc(CNC(=O)c2ccc(OC)c(OC)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H23N5O5/c1-25-13-5-4-12(10-14(13)26-2)16(24)19-11-15-20-17(22-18(21-15)27-3)23-6-8-28-9-7-23/h4-5,10H,6-9,11H2,1-3H3,(H,19,24)
InChIKeyHIKQGFCQCPMFQH-UHFFFAOYSA-N
XLogP0.66
TPSA107.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-ethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253693
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122253835
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122253828
5-acetyl-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]thiophene-2-carboxamide
CID 122253859
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1-methyltriazole-4-carboxamide
CID 121137782
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 122253837
4-fluoro-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253401
5-(furan-2-yl)-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 122253794
3-chloro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253118
3-fluoro-N-[(4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]benzamide
CID 122253116
N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]oxane-4-carboxamide
CID 122253832

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide (CID 122253694) is 3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide is COc1nc(CNC(=O)c2ccc(OC)c(OC)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide?
The InChIKey is HIKQGFCQCPMFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-25-13-5-4-12(10-14(13)26-2)16(24)19-11-15-20-17(22-18(21-15)27-3)23-6-8-28-9-7-23/h4-5,10H,6-9,11H2,1-3H3,(H,19,24).
What are the key properties of 3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide?
3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide has a molecular weight of 389.41 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[(4-methoxy-6-morpholin-4-yl-1,3,5-triazin-2-yl)methyl]benzamide is sourced from PubChem (CID 122253694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).