N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide

C14H28N4O4 — CID 10245233

IUPACN-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide
SMILESCNC(=O)CN1CCOCCN(CC(=O)NC)CCOCC1
InChIInChI=1S/C14H28N4O4/c1-15-13(19)11-17-3-7-21-9-5-18(12-14(20)16-2)6-10-22-8-4-17/h3-12H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyZOSVQHXPSRWMMN-UHFFFAOYSA-N
MW316.40 g/mol
LogP-1.87
Rot. Bonds4

About N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide

N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide (PubChem CID 10245233) has the molecular formula C14H28N4O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide
PubChem CID10245233
Molecular FormulaC14H28N4O4
Molecular Weight316.40 g/mol
Exact Mass316.21
IUPAC NameN-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide
SMILESCNC(=O)CN1CCOCCN(CC(=O)NC)CCOCC1
InChIInChI=1S/C14H28N4O4/c1-15-13(19)11-17-3-7-21-9-5-18(12-14(20)16-2)6-10-22-8-4-17/h3-12H2,1-2H3,(H,15,19)(H,16,20)
InChIKeyZOSVQHXPSRWMMN-UHFFFAOYSA-N
XLogP-1.87
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-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-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide?
The IUPAC name of N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide (CID 10245233) is N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide is CNC(=O)CN1CCOCCN(CC(=O)NC)CCOCC1.
What is the InChIKey of N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide?
The InChIKey is ZOSVQHXPSRWMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O4/c1-15-13(19)11-17-3-7-21-9-5-18(12-14(20)16-2)6-10-22-8-4-17/h3-12H2,1-2H3,(H,15,19)(H,16,20).
What are the key properties of N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide?
N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide has a molecular weight of 316.40 g/mol, XLogP of -1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[10-[2-(methylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]acetamide is sourced from PubChem (CID 10245233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).