N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide

C18H36N4O6 — CID 10341183

IUPACN-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide
SMILESCNC(=O)CN1CCOCCOCCN(CC(=O)NC)CCOCCOCC1
InChIInChI=1S/C18H36N4O6/c1-19-17(23)15-21-3-7-25-11-13-27-9-5-22(16-18(24)20-2)6-10-28-14-12-26-8-4-21/h3-16H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKXJMDDOCLONMES-UHFFFAOYSA-N
MW404.51 g/mol
LogP-1.84
Rot. Bonds4

About N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide

N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide (PubChem CID 10341183) has the molecular formula C18H36N4O6 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide
PubChem CID10341183
Molecular FormulaC18H36N4O6
Molecular Weight404.51 g/mol
Exact Mass404.26
IUPAC NameN-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide
SMILESCNC(=O)CN1CCOCCOCCN(CC(=O)NC)CCOCCOCC1
InChIInChI=1S/C18H36N4O6/c1-19-17(23)15-21-3-7-25-11-13-27-9-5-22(16-18(24)20-2)6-10-28-14-12-26-8-4-21/h3-16H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyKXJMDDOCLONMES-UHFFFAOYSA-N
XLogP-1.84
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 5-1.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide?
The IUPAC name of N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide (CID 10341183) is N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide.
What is the SMILES notation for N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide?
The canonical SMILES for N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide is CNC(=O)CN1CCOCCOCCN(CC(=O)NC)CCOCCOCC1.
What is the InChIKey of N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide?
The InChIKey is KXJMDDOCLONMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O6/c1-19-17(23)15-21-3-7-25-11-13-27-9-5-22(16-18(24)20-2)6-10-28-14-12-26-8-4-21/h3-16H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide?
N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide has a molecular weight of 404.51 g/mol, XLogP of -1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[16-[2-(methylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetamide is sourced from PubChem (CID 10341183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).