2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide

C16H32N4O4 — CID 14709711

IUPAC2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCOCCN(CC(=O)N(C)C)CCOCC1
InChIInChI=1S/C16H32N4O4/c1-17(2)15(21)13-19-5-9-23-11-7-20(8-12-24-10-6-19)14-16(22)18(3)4/h5-14H2,1-4H3
InChIKeySWWLIJYQAVPRQU-UHFFFAOYSA-N
MW344.46 g/mol
LogP-1.19
Rot. Bonds4

About 2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide

2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide (PubChem CID 14709711) has the molecular formula C16H32N4O4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide
PubChem CID14709711
Molecular FormulaC16H32N4O4
Molecular Weight344.46 g/mol
Exact Mass344.24
IUPAC Name2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCOCCN(CC(=O)N(C)C)CCOCC1
InChIInChI=1S/C16H32N4O4/c1-17(2)15(21)13-19-5-9-23-11-7-20(8-12-24-10-6-19)14-16(22)18(3)4/h5-14H2,1-4H3
InChIKeySWWLIJYQAVPRQU-UHFFFAOYSA-N
XLogP-1.19
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide (CID 14709711) is 2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCOCCN(CC(=O)N(C)C)CCOCC1.
What is the InChIKey of 2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide?
The InChIKey is SWWLIJYQAVPRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O4/c1-17(2)15(21)13-19-5-9-23-11-7-20(8-12-24-10-6-19)14-16(22)18(3)4/h5-14H2,1-4H3.
What are the key properties of 2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide?
2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide has a molecular weight of 344.46 g/mol, XLogP of -1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-[2-(dimethylamino)-2-oxoethyl]-1,7-dioxa-4,10-diazacyclododec-4-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 14709711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).