3,4,5-triethoxy-N-morpholin-4-ylbenzamide

C17H26N2O5 — CID 868312

IUPAC3,4,5-triethoxy-N-morpholin-4-ylbenzamide
SMILESCCOc1cc(C(=O)NN2CCOCC2)cc(OCC)c1OCC
InChIInChI=1S/C17H26N2O5/c1-4-22-14-11-13(12-15(23-5-2)16(14)24-6-3)17(20)18-19-7-9-21-10-8-19/h11-12H,4-10H2,1-3H3,(H,18,20)
InChIKeyNNPXFWRHQJSWQR-UHFFFAOYSA-N
MW338.40 g/mol
LogP1.86
Rot. Bonds8

About 3,4,5-triethoxy-N-morpholin-4-ylbenzamide

3,4,5-triethoxy-N-morpholin-4-ylbenzamide (PubChem CID 868312) has the molecular formula C17H26N2O5 and a molecular weight of 338.40 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-morpholin-4-ylbenzamide
PubChem CID868312
Molecular FormulaC17H26N2O5
Molecular Weight338.40 g/mol
Exact Mass338.18
IUPAC Name3,4,5-triethoxy-N-morpholin-4-ylbenzamide
SMILESCCOc1cc(C(=O)NN2CCOCC2)cc(OCC)c1OCC
InChIInChI=1S/C17H26N2O5/c1-4-22-14-11-13(12-15(23-5-2)16(14)24-6-3)17(20)18-19-7-9-21-10-8-19/h11-12H,4-10H2,1-3H3,(H,18,20)
InChIKeyNNPXFWRHQJSWQR-UHFFFAOYSA-N
XLogP1.86
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 5577
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3,4,5-Trimethoxybenzohydrazide
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N'-[3-(2-furyl)acryloyl]-3,4,5-trimethoxybenzohydrazide
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CID 916392
3,4,5-triethoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 1084016
(4-Pentan-3-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 1131674
N'-(3,4,5-trimethoxybenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
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3,5-dimethoxy-N-(morpholin-4-yl)benzamide
CID 4215570

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-morpholin-4-ylbenzamide?
The IUPAC name of 3,4,5-triethoxy-N-morpholin-4-ylbenzamide (CID 868312) is 3,4,5-triethoxy-N-morpholin-4-ylbenzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-morpholin-4-ylbenzamide?
The canonical SMILES for 3,4,5-triethoxy-N-morpholin-4-ylbenzamide is CCOc1cc(C(=O)NN2CCOCC2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-morpholin-4-ylbenzamide?
The InChIKey is NNPXFWRHQJSWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O5/c1-4-22-14-11-13(12-15(23-5-2)16(14)24-6-3)17(20)18-19-7-9-21-10-8-19/h11-12H,4-10H2,1-3H3,(H,18,20).
What are the key properties of 3,4,5-triethoxy-N-morpholin-4-ylbenzamide?
3,4,5-triethoxy-N-morpholin-4-ylbenzamide has a molecular weight of 338.40 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-morpholin-4-ylbenzamide is sourced from PubChem (CID 868312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).