butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione

C19H36N4O3 — CID 142041985

IUPACbutane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
SMILESC=C1CNC(=O)CNC(=O)CNC(=O)C2CCCCN12.CC.CCCC
InChIInChI=1S/C13H20N4O3.C4H10.C2H6/c1-9-6-14-11(18)7-15-12(19)8-16-13(20)10-4-2-3-5-17(9)10;1-3-4-2;1-2/h10H,1-8H2,(H,14,18)(H,15,19)(H,16,20);3-4H2,1-2H3;1-2H3
InChIKeyPMIRIPFOSDMCMY-UHFFFAOYSA-N
MW368.52 g/mol
LogP1.55
Rot. Bonds1

About butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione

butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione (PubChem CID 142041985) has the molecular formula C19H36N4O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione.

Molecular Properties

Compound Namebutane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
PubChem CID142041985
Molecular FormulaC19H36N4O3
Molecular Weight368.52 g/mol
Exact Mass368.28
IUPAC Namebutane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione
SMILESC=C1CNC(=O)CNC(=O)CNC(=O)C2CCCCN12.CC.CCCC
InChIInChI=1S/C13H20N4O3.C4H10.C2H6/c1-9-6-14-11(18)7-15-12(19)8-16-13(20)10-4-2-3-5-17(9)10;1-3-4-2;1-2/h10H,1-8H2,(H,14,18)(H,15,19)(H,16,20);3-4H2,1-2H3;1-2H3
InChIKeyPMIRIPFOSDMCMY-UHFFFAOYSA-N
XLogP1.55
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione with MolForge

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Related Compounds

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N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide
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(2S)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 23515318
N-[2-[1-[2-(heptanoylamino)ethyl]-2-methyl-3-oxopiperazin-1-ium-1-yl]ethyl]heptanamide
CID 23579898
N-[6-(6-aminohexanoylamino)hexan-2-yl]piperidine-2-carboxamide
CID 23599854
N,N-bis(prop-2-enyl)piperidine-2-carboxamide
CID 24711394
1-[(2S)-6-amino-1-oxo-1-piperazin-1-ylhexan-2-yl]-4-methyl-5-methylidenepiperazin-2-one
CID 68205326
(3S)-1-[(2S)-6-amino-1-oxo-1-piperazin-1-ylhexan-2-yl]-3-butan-2-yl-4-methyl-5-methylidenepiperazin-2-one
CID 68205342
1-Piperidin-1-yl-3-(prop-1-en-2-ylamino)hexane-1,2-dione
CID 68246083
(2R)-N-(5-aminopentyl)-1-hexanoylpiperidine-2-carboxamide
CID 69288781
3,6-Bis(4-aminobutyl)-5-methylidenepiperazin-2-one
CID 70648297

Frequently Asked Questions

What is the IUPAC name of butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
The IUPAC name of butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione (CID 142041985) is butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione.
What is the SMILES notation for butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
The canonical SMILES for butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione is C=C1CNC(=O)CNC(=O)CNC(=O)C2CCCCN12.CC.CCCC.
What is the InChIKey of butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
The InChIKey is PMIRIPFOSDMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3.C4H10.C2H6/c1-9-6-14-11(18)7-15-12(19)8-16-13(20)10-4-2-3-5-17(9)10;1-3-4-2;1-2/h10H,1-8H2,(H,14,18)(H,15,19)(H,16,20);3-4H2,1-2H3;1-2H3.
What are the key properties of butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione?
butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione has a molecular weight of 368.52 g/mol, XLogP of 1.55, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;2-methylidene-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-5,8,11-trione is sourced from PubChem (CID 142041985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).