2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide

C25H36N2O4 — CID 18089009

IUPAC2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNC(c2ccc(C(C)(C)C)cc2)C(C)C)cc(OC)c1OC
InChIInChI=1S/C25H36N2O4/c1-16(2)23(17-9-11-18(12-10-17)25(3,4)5)26-15-22(28)27-19-13-20(29-6)24(31-8)21(14-19)30-7/h9-14,16,23,26H,15H2,1-8H3,(H,27,28)
InChIKeyOTLVZBJKLULXPB-UHFFFAOYSA-N
MW428.57 g/mol
LogP4.94
Rot. Bonds9

About 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide

2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 18089009) has the molecular formula C25H36N2O4 and a molecular weight of 428.57 g/mol. Its IUPAC name is 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID18089009
Molecular FormulaC25H36N2O4
Molecular Weight428.57 g/mol
Exact Mass428.27
IUPAC Name2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNC(c2ccc(C(C)(C)C)cc2)C(C)C)cc(OC)c1OC
InChIInChI=1S/C25H36N2O4/c1-16(2)23(17-9-11-18(12-10-17)25(3,4)5)26-15-22(28)27-19-13-20(29-6)24(31-8)21(14-19)30-7/h9-14,16,23,26H,15H2,1-8H3,(H,27,28)
InChIKeyOTLVZBJKLULXPB-UHFFFAOYSA-N
XLogP4.94
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 16598693
N-(5-acetamido-2-methoxyphenyl)-2-[[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetamide
CID 9129845
4-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N-methylbenzamide
CID 18089028
2-(4-tert-butyl-N-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 60561238
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
3-[[2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]acetyl]amino]-N,N-diethylbenzamide
CID 18228267
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(2-methylbutan-2-yl)acetamide
CID 18289341
2,2-dimethyl-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]propanamide
CID 36673040
N-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 7914234
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
2-(2,6-dimethylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 51253107
2-(2-methoxy-5-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508692

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 18089009) is 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CNC(c2ccc(C(C)(C)C)cc2)C(C)C)cc(OC)c1OC.
What is the InChIKey of 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is OTLVZBJKLULXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O4/c1-16(2)23(17-9-11-18(12-10-17)25(3,4)5)26-15-22(28)27-19-13-20(29-6)24(31-8)21(14-19)30-7/h9-14,16,23,26H,15H2,1-8H3,(H,27,28).
What are the key properties of 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 428.57 g/mol, XLogP of 4.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 18089009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).