N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide

C16H32N4O5 — CID 10044074

IUPACN-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide
SMILESCNC(=O)CN1CCOCCOCCN(CC(=O)NC)CCOCC1
InChIInChI=1S/C16H32N4O5/c1-17-15(21)13-19-3-7-23-8-4-20(14-16(22)18-2)6-10-25-12-11-24-9-5-19/h3-14H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyMZQCXEMBLCTWAP-UHFFFAOYSA-N
MW360.46 g/mol
LogP-1.85
Rot. Bonds4

About N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide

N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide (PubChem CID 10044074) has the molecular formula C16H32N4O5 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide
PubChem CID10044074
Molecular FormulaC16H32N4O5
Molecular Weight360.46 g/mol
Exact Mass360.24
IUPAC NameN-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide
SMILESCNC(=O)CN1CCOCCOCCN(CC(=O)NC)CCOCC1
InChIInChI=1S/C16H32N4O5/c1-17-15(21)13-19-3-7-23-8-4-20(14-16(22)18-2)6-10-25-12-11-24-9-5-19/h3-14H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyMZQCXEMBLCTWAP-UHFFFAOYSA-N
XLogP-1.85
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide?
The IUPAC name of N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide (CID 10044074) is N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide.
What is the SMILES notation for N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide?
The canonical SMILES for N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide is CNC(=O)CN1CCOCCOCCN(CC(=O)NC)CCOCC1.
What is the InChIKey of N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide?
The InChIKey is MZQCXEMBLCTWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O5/c1-17-15(21)13-19-3-7-23-8-4-20(14-16(22)18-2)6-10-25-12-11-24-9-5-19/h3-14H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide?
N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide has a molecular weight of 360.46 g/mol, XLogP of -1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[13-[2-(methylamino)-2-oxoethyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]acetamide is sourced from PubChem (CID 10044074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).