3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide

C21H26N2O5 — CID 110362463

IUPAC3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(N3CCOCC3)ccc2C)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-14-5-6-16(23-7-9-28-10-8-23)13-17(14)22-21(24)15-11-18(25-2)20(27-4)19(12-15)26-3/h5-6,11-13H,7-10H2,1-4H3,(H,22,24)
InChIKeyKCJUOJLCOIUAIF-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.11
Rot. Bonds6

About 3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide

3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide (PubChem CID 110362463) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
PubChem CID110362463
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2cc(N3CCOCC3)ccc2C)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-14-5-6-16(23-7-9-28-10-8-23)13-17(14)22-21(24)15-11-18(25-2)20(27-4)19(12-15)26-3/h5-6,11-13H,7-10H2,1-4H3,(H,22,24)
InChIKeyKCJUOJLCOIUAIF-UHFFFAOYSA-N
XLogP3.11
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-(2-methyl-5-pyrrolidin-1-ylphenyl)benzamide
CID 110361706
N-(2-fluoro-5-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 110362244
N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 84508322
3,4,5-trimethoxy-N-[[3-[(4-morpholin-4-ylbenzoyl)amino]phenyl]carbamothioyl]benzamide
CID 57326208
3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362455
N-(2,4-dimorpholin-4-ylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 4850126
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
N-(2-chloro-5-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 110362746
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
N-(2-methyl-4-morpholin-4-ylphenyl)thiophene-3-carboxamide
CID 39267225
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide (CID 110362463) is 3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide is COc1cc(C(=O)Nc2cc(N3CCOCC3)ccc2C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide?
The InChIKey is KCJUOJLCOIUAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-14-5-6-16(23-7-9-28-10-8-23)13-17(14)22-21(24)15-11-18(25-2)20(27-4)19(12-15)26-3/h5-6,11-13H,7-10H2,1-4H3,(H,22,24).
What are the key properties of 3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide?
3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide has a molecular weight of 386.45 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide is sourced from PubChem (CID 110362463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).