3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

C25H32N2O7 — CID 5300097

IUPAC3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(OCC(=O)N3CCOCC3)c2)cc(OCC)c1OCC
InChIInChI=1S/C25H32N2O7/c1-4-31-21-14-18(15-22(32-5-2)24(21)33-6-3)25(29)26-19-8-7-9-20(16-19)34-17-23(28)27-10-12-30-13-11-27/h7-9,14-16H,4-6,10-13,17H2,1-3H3,(H,26,29)
InChIKeyRWPTVPUGPZBSCI-UHFFFAOYSA-N
MW472.54 g/mol
LogP3.37
Rot. Bonds11

About 3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide

3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (PubChem CID 5300097) has the molecular formula C25H32N2O7 and a molecular weight of 472.54 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
PubChem CID5300097
Molecular FormulaC25H32N2O7
Molecular Weight472.54 g/mol
Exact Mass472.22
IUPAC Name3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(OCC(=O)N3CCOCC3)c2)cc(OCC)c1OCC
InChIInChI=1S/C25H32N2O7/c1-4-31-21-14-18(15-22(32-5-2)24(21)33-6-3)25(29)26-19-8-7-9-20(16-19)34-17-23(28)27-10-12-30-13-11-27/h7-9,14-16H,4-6,10-13,17H2,1-3H3,(H,26,29)
InChIKeyRWPTVPUGPZBSCI-UHFFFAOYSA-N
XLogP3.37
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.54
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Trimethobenzamide
CID 5577
Trimethobenzamide Hydrochloride
CID 68385
(4-(2-Methoxyphenyl)-1-piperazinyl)(3,4,5-trimethoxyphenyl)methanone
CID 28757
3,4,5-Trimethoxybenzanilide
CID 305103
2-Methyl-1-(3,4,5-trimethoxybenzoyl)-1,2,3,4-tetrahydroquinoline
CID 2929726
p-Benzotoluidide, 3,4,5-trimethoxy-
CID 12924
3,4,5-Trimethoxy-N-(2-methoxyphenyl)benzamide
CID 199280
4'-Dimethylamino-3,4,5-trimethoxy benzanilide
CID 43380
3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzamide
CID 364715
N-[(2S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-3-methoxy-4-(3-methylphenoxy)benzamide
CID 71681352
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,5-dimethoxybenzamide
CID 754510
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 841491

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide (CID 5300097) is 3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is CCOc1cc(C(=O)Nc2cccc(OCC(=O)N3CCOCC3)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
The InChIKey is RWPTVPUGPZBSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O7/c1-4-31-21-14-18(15-22(32-5-2)24(21)33-6-3)25(29)26-19-8-7-9-20(16-19)34-17-23(28)27-10-12-30-13-11-27/h7-9,14-16H,4-6,10-13,17H2,1-3H3,(H,26,29).
What are the key properties of 3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide?
3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide has a molecular weight of 472.54 g/mol, XLogP of 3.37, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide is sourced from PubChem (CID 5300097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).