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

C22H26N2O6 — CID 2973420

IUPAC3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O6/c1-27-18-11-15(12-19(28-2)20(18)29-3)22(26)24-16-8-6-14(7-9-16)21(25)23-13-17-5-4-10-30-17/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZVIKGOLIUGVMCK-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.87
Rot. Bonds8

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

3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (PubChem CID 2973420) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
PubChem CID2973420
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O6/c1-27-18-11-15(12-19(28-2)20(18)29-3)22(26)24-16-8-6-14(7-9-16)21(25)23-13-17-5-4-10-30-17/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZVIKGOLIUGVMCK-UHFFFAOYSA-N
XLogP2.87
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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
N-(3-acetylphenyl)-3,4,5-trimethoxybenzamide
CID 692750
Methyl 4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 364704
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-(3-ethylphenyl)-3,4,5-trimethoxybenzamide
CID 897201
3-(4-Ethoxyanilino)-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one
CID 2252951

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide (CID 2973420) is 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide is COc1cc(C(=O)Nc2ccc(C(=O)NCC3CCCO3)cc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
The InChIKey is ZVIKGOLIUGVMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-27-18-11-15(12-19(28-2)20(18)29-3)22(26)24-16-8-6-14(7-9-16)21(25)23-13-17-5-4-10-30-17/h6-9,11-12,17H,4-5,10,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide?
3,4,5-trimethoxy-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 2.87, 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-ylmethylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 2973420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).