4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide

C23H31NO4 — CID 113095739

IUPAC4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(CCN(C)C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H31NO4/c1-23(2,3)18-10-8-17(9-11-18)22(25)24(4)13-12-16-14-19(26-5)21(28-7)20(15-16)27-6/h8-11,14-15H,12-13H2,1-7H3
InChIKeyHAYARGVSACWTMO-UHFFFAOYSA-N
MW385.50 g/mol
LogP4.32
Rot. Bonds7

About 4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide

4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide (PubChem CID 113095739) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
PubChem CID113095739
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
SMILESCOc1cc(CCN(C)C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H31NO4/c1-23(2,3)18-10-8-17(9-11-18)22(25)24(4)13-12-16-14-19(26-5)21(28-7)20(15-16)27-6/h8-11,14-15H,12-13H2,1-7H3
InChIKeyHAYARGVSACWTMO-UHFFFAOYSA-N
XLogP4.32
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)ethyl]-N-methylbenzamide
CID 110287953
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 110287984
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 8001354
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 26826376
N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095748
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
4-[2-[3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715341
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 42695653
N-[2-(4-tert-butylphenyl)ethyl]-N-methylcarbamoyl chloride
CID 115195005

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide (CID 113095739) is 4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide is COc1cc(CCN(C)C(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
The InChIKey is HAYARGVSACWTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-23(2,3)18-10-8-17(9-11-18)22(25)24(4)13-12-16-14-19(26-5)21(28-7)20(15-16)27-6/h8-11,14-15H,12-13H2,1-7H3.
What are the key properties of 4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide?
4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide has a molecular weight of 385.50 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 113095739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).