4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione

C14H28N4O4 — CID 546381

IUPAC4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione
SMILESCN1CCOCCN(C)C(=O)N(C)CCOCCN(C)C1=O
InChIInChI=1S/C14H28N4O4/c1-15-5-9-21-11-7-17(3)14(20)18(4)8-12-22-10-6-16(2)13(15)19/h5-12H2,1-4H3
InChIKeySBFQZPTYJNPVIU-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.00
Rot. Bonds

About 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione

4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione (PubChem CID 546381) has the molecular formula C14H28N4O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione.

Molecular Properties

Compound Name4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione
PubChem CID546381
Molecular FormulaC14H28N4O4
Molecular Weight316.40 g/mol
Exact Mass316.21
IUPAC Name4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione
SMILESCN1CCOCCN(C)C(=O)N(C)CCOCCN(C)C1=O
InChIInChI=1S/C14H28N4O4/c1-15-5-9-21-11-7-17(3)14(20)18(4)8-12-22-10-6-16(2)13(15)19/h5-12H2,1-4H3
InChIKeySBFQZPTYJNPVIU-UHFFFAOYSA-N
XLogP0.00
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione with MolForge

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Related Compounds

N,N-bis(2-methoxyethyl)morpholine-4-carboxamide
CID 4254013
4,6-Dimethyl-1,9-dioxa-4,6-diazacycloundecan-5-one
CID 545836
3,12-Dimethyl-6,9,17,20,25-pentaoxa-1,3,12,14-tetraazabicyclo[12.8.5]heptacosane-2,13-dione
CID 3619949
6,9,17,20,25,28-Hexaoxa-1,3,12,14-tetraazabicyclo[12.8.8]triacontane-2,13-dione, 3,12-dimethyl-
CID 544797
3,15-Dimethyl-6,9,12,20,23,28,31-heptaoxa-1,3,15,17-tetraazabicyclo-[15.8.8]-tritriacontan-2,16-dione
CID 544899
3,18-Dimethyl-6,9,12,15,23,26,31,34-octaoxa-1,3,18,20-tetraazabicyclo-[18.8.8]-hexatriacontan-2,19-dione
CID 575181
N,N-diethylmorpholine-4-carboxamide
CID 669641
4,6,12,14-Tetramethyl-1,9,17,20-tetraoxa-4,6,12,14-tetrazacyclodocosane-5,13-dione
CID 3123189
6,14,17,22,25-Pentaoxa-1,3,9,11-tetraazabicyclo[9.8.8]heptacosane-2,10-dione, 3,9-dimethyl-
CID 544917
4,6,9,11-Tetramethyl-1-oxa-4,6,9,11-tetraazacyclotrideca-5,10-dione
CID 545984
4,6-Dimethyl-1,9,12-trioxa-4,6-diazacyclotetradecan-5-one
CID 568335
4,6-Dimethyl-1,9,12,15-tetraoxa-4,6-diazacycloheptadecan-5-one
CID 568336

Frequently Asked Questions

What is the IUPAC name of 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione?
The IUPAC name of 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione (CID 546381) is 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione.
What is the SMILES notation for 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione?
The canonical SMILES for 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione is CN1CCOCCN(C)C(=O)N(C)CCOCCN(C)C1=O.
What is the InChIKey of 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione?
The InChIKey is SBFQZPTYJNPVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O4/c1-15-5-9-21-11-7-17(3)14(20)18(4)8-12-22-10-6-16(2)13(15)19/h5-12H2,1-4H3.
What are the key properties of 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione?
4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione has a molecular weight of 316.40 g/mol, XLogP of 0.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,12,14-tetramethyl-1,9-dioxa-4,6,12,14-tetrazacyclohexadecane-5,13-dione is sourced from PubChem (CID 546381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).