2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide

C21H27NO7 — CID 55714675

IUPAC2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(OC)c(C(=O)NC(C)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H27NO7/c1-12(13-8-18(27-5)20(29-7)19(9-13)28-6)22-21(23)14-10-16(25-3)17(26-4)11-15(14)24-2/h8-12H,1-7H3,(H,22,23)
InChIKeyLUDYGQTVDYGGKH-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.23
Rot. Bonds9

About 2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide

2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide (PubChem CID 55714675) has the molecular formula C21H27NO7 and a molecular weight of 405.45 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
PubChem CID55714675
Molecular FormulaC21H27NO7
Molecular Weight405.45 g/mol
Exact Mass405.18
IUPAC Name2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(OC)c(C(=O)NC(C)c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C21H27NO7/c1-12(13-8-18(27-5)20(29-7)19(9-13)28-6)22-21(23)14-10-16(25-3)17(26-4)11-15(14)24-2/h8-12H,1-7H3,(H,22,23)
InChIKeyLUDYGQTVDYGGKH-UHFFFAOYSA-N
XLogP3.23
TPSA84.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 51346106
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
5-bromo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]furan-2-carboxamide
CID 55709298
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
CID 98541747
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 119720284
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide (CID 55714675) is 2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide is COc1cc(OC)c(C(=O)NC(C)c2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The InChIKey is LUDYGQTVDYGGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO7/c1-12(13-8-18(27-5)20(29-7)19(9-13)28-6)22-21(23)14-10-16(25-3)17(26-4)11-15(14)24-2/h8-12H,1-7H3,(H,22,23).
What are the key properties of 2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide has a molecular weight of 405.45 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 55714675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).