2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

C22H30N2O4 — CID 60561238

IUPAC2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C22H30N2O4/c1-22(2,3)15-8-10-17(11-9-15)24(4)14-20(25)23-16-12-18(26-5)21(28-7)19(13-16)27-6/h8-13H,14H2,1-7H3,(H,23,25)
InChIKeyGXRBHBSYTDDDFE-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.08
Rot. Bonds7

About 2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 60561238) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is 2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID60561238
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CN(C)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C22H30N2O4/c1-22(2,3)15-8-10-17(11-9-15)24(4)14-20(25)23-16-12-18(26-5)21(28-7)19(13-16)27-6/h8-13H,14H2,1-7H3,(H,23,25)
InChIKeyGXRBHBSYTDDDFE-UHFFFAOYSA-N
XLogP4.08
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclooctyl(methyl)amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60609505
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
CID 60562398
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 18089009
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 30796172
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113160557
4-methyl-4-phenyl-N-(3,4,5-trimethoxyphenyl)pentanamide
CID 110356184
2-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 113149929
2-(N-acetyl-4-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113170654
3-(tert-butylamino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109031433
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 60561238) is 2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CN(C)c2ccc(C(C)(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is GXRBHBSYTDDDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-22(2,3)15-8-10-17(11-9-15)24(4)14-20(25)23-16-12-18(26-5)21(28-7)19(13-16)27-6/h8-13H,14H2,1-7H3,(H,23,25).
What are the key properties of 2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 386.49 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 60561238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).