3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide

C21H26N2O5 — CID 112981189

IUPAC3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCC3CCCO3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-25-18-11-14(12-19(26-2)20(18)27-3)21(24)23-16-8-6-15(7-9-16)22-13-17-5-4-10-28-17/h6-9,11-12,17,22H,4-5,10,13H2,1-3H3,(H,23,24)
InChIKeyROODKOKSTDWELB-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.56
Rot. Bonds8

About 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide

3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide (PubChem CID 112981189) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
PubChem CID112981189
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(NCC3CCCO3)cc2)cc(OC)c1OC
InChIInChI=1S/C21H26N2O5/c1-25-18-11-14(12-19(26-2)20(18)27-3)21(24)23-16-8-6-15(7-9-16)22-13-17-5-4-10-28-17/h6-9,11-12,17,22H,4-5,10,13H2,1-3H3,(H,23,24)
InChIKeyROODKOKSTDWELB-UHFFFAOYSA-N
XLogP3.56
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,4,5-trimethoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025389
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17161275
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 4958021
3,4,5-trimethoxy-N-[4-(oxiran-2-ylmethoxy)phenyl]benzamide
CID 11100457
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
3-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981202
2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 108994315
N-[4-(oxolan-2-ylmethylamino)phenyl]butanamide
CID 112981160
N-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109300819
2-methoxy-N-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113025379
3-iodo-4-methoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205639

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide (CID 112981189) is 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(NCC3CCCO3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
The InChIKey is ROODKOKSTDWELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-25-18-11-14(12-19(26-2)20(18)27-3)21(24)23-16-8-6-15(7-9-16)22-13-17-5-4-10-28-17/h6-9,11-12,17,22H,4-5,10,13H2,1-3H3,(H,23,24).
What are the key properties of 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide has a molecular weight of 386.45 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 112981189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).