N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide

C19H20N2O4 — CID 46388327

IUPACN-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3ccccn3c2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-23-16-8-13(9-17(24-2)18(16)25-3)11-20-19(22)14-10-15-6-4-5-7-21(15)12-14/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyXUSGOQXQNMLPQZ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.90
Rot. Bonds6

About N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide

N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide (PubChem CID 46388327) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide
PubChem CID46388327
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide
SMILESCOc1cc(CNC(=O)c2cc3ccccn3c2)cc(OC)c1OC
InChIInChI=1S/C19H20N2O4/c1-23-16-8-13(9-17(24-2)18(16)25-3)11-20-19(22)14-10-15-6-4-5-7-21(15)12-14/h4-10,12H,11H2,1-3H3,(H,20,22)
InChIKeyXUSGOQXQNMLPQZ-UHFFFAOYSA-N
XLogP2.90
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4,5-trimethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 41261586
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
4-(phenylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 31446452
N-[(8-methoxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methyl]indolizine-2-carboxamide
CID 119102521
4-ethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261598
3,4-diethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261631
3-(methylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483484
N-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]-4-phenylbenzamide
CID 36936630
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
4-(trifluoromethoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 41261622
4-(ethylsulfanylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55875017

Frequently Asked Questions

What is the IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide?
The IUPAC name of N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide (CID 46388327) is N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide.
What is the SMILES notation for N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide?
The canonical SMILES for N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide is COc1cc(CNC(=O)c2cc3ccccn3c2)cc(OC)c1OC.
What is the InChIKey of N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide?
The InChIKey is XUSGOQXQNMLPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-23-16-8-13(9-17(24-2)18(16)25-3)11-20-19(22)14-10-15-6-4-5-7-21(15)12-14/h4-10,12H,11H2,1-3H3,(H,20,22).
What are the key properties of N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide?
N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4,5-trimethoxyphenyl)methyl]indolizine-2-carboxamide is sourced from PubChem (CID 46388327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).