2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide

C21H34N2O5 — CID 3095231

IUPAC2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCOCCOCCOCCOCC2)c(C)c1
InChIInChI=1S/C21H34N2O5/c1-17-14-18(2)21(19(3)15-17)22-20(24)16-23-4-6-25-8-10-27-12-13-28-11-9-26-7-5-23/h14-15H,4-13,16H2,1-3H3,(H,22,24)
InChIKeyQQGKNTLXBUFYPQ-UHFFFAOYSA-N
MW394.51 g/mol
LogP1.93
Rot. Bonds3

About 2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 3095231) has the molecular formula C21H34N2O5 and a molecular weight of 394.51 g/mol. Its IUPAC name is 2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID3095231
Molecular FormulaC21H34N2O5
Molecular Weight394.51 g/mol
Exact Mass394.25
IUPAC Name2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCOCCOCCOCCOCC2)c(C)c1
InChIInChI=1S/C21H34N2O5/c1-17-14-18(2)21(19(3)15-17)22-20(24)16-23-4-6-25-8-10-27-12-13-28-11-9-26-7-5-23/h14-15H,4-13,16H2,1-3H3,(H,22,24)
InChIKeyQQGKNTLXBUFYPQ-UHFFFAOYSA-N
XLogP1.93
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 3095231) is 2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCOCCOCCOCCOCC2)c(C)c1.
What is the InChIKey of 2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is QQGKNTLXBUFYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O5/c1-17-14-18(2)21(19(3)15-17)22-20(24)16-23-4-6-25-8-10-27-12-13-28-11-9-26-7-5-23/h14-15H,4-13,16H2,1-3H3,(H,22,24).
What are the key properties of 2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 394.51 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 3095231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).