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

C21H27ClN2O4 — CID 16598693

IUPAC2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNC(c2ccc(Cl)cc2)C(C)C)cc(OC)c1OC
InChIInChI=1S/C21H27ClN2O4/c1-13(2)20(14-6-8-15(22)9-7-14)23-12-19(25)24-16-10-17(26-3)21(28-5)18(11-16)27-4/h6-11,13,20,23H,12H2,1-5H3,(H,24,25)
InChIKeyMBELJANLBZMMHG-UHFFFAOYSA-N
MW406.91 g/mol
LogP4.29
Rot. Bonds9

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

2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 16598693) has the molecular formula C21H27ClN2O4 and a molecular weight of 406.91 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID16598693
Molecular FormulaC21H27ClN2O4
Molecular Weight406.91 g/mol
Exact Mass406.17
IUPAC Name2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNC(c2ccc(Cl)cc2)C(C)C)cc(OC)c1OC
InChIInChI=1S/C21H27ClN2O4/c1-13(2)20(14-6-8-15(22)9-7-14)23-12-19(25)24-16-10-17(26-3)21(28-5)18(11-16)27-4/h6-11,13,20,23H,12H2,1-5H3,(H,24,25)
InChIKeyMBELJANLBZMMHG-UHFFFAOYSA-N
XLogP4.29
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.91
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 18089009
N-(3-chloro-4-methoxyphenyl)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131635
4-chloro-N-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]benzamide
CID 27258608
N-[1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793054
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 18137531
N-(1,3-benzodioxol-5-yl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
CID 18137507
N-(2-chloro-4,6-dimethylphenyl)-2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]acetamide
CID 16598723
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 18137534
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 41023049
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
2-[[(1S)-1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-iodophenyl)acetamide
CID 41378344
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7948779

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide (CID 16598693) is 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(NC(=O)CNC(c2ccc(Cl)cc2)C(C)C)cc(OC)c1OC.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is MBELJANLBZMMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O4/c1-13(2)20(14-6-8-15(22)9-7-14)23-12-19(25)24-16-10-17(26-3)21(28-5)18(11-16)27-4/h6-11,13,20,23H,12H2,1-5H3,(H,24,25).
What are the key properties of 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide?
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 406.91 g/mol, XLogP of 4.29, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 16598693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).