ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen

C12H33N5O5 — CID 169185190

IUPACethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen
SMILESCC.CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC=O.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C10H17N5O5.C2H6.5H2/c1-11-7(17)3-13-9(19)5-15-10(20)4-14-8(18)2-12-6-16;1-2;;;;;/h6H,2-5H2,1H3,(H,11,17)(H,12,16)(H,13,19)(H,14,18)(H,15,20);1-2H3;5*1H
InChIKeyYTDNPLYIGJVGQL-UHFFFAOYSA-N
MW327.43 g/mol
LogP-1.92
Rot. Bonds9

About ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen

ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen (PubChem CID 169185190) has the molecular formula C12H33N5O5 and a molecular weight of 327.43 g/mol. Its IUPAC name is ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen
PubChem CID169185190
Molecular FormulaC12H33N5O5
Molecular Weight327.43 g/mol
Exact Mass327.25
IUPAC Nameethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen
SMILESCC.CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC=O.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C10H17N5O5.C2H6.5H2/c1-11-7(17)3-13-9(19)5-15-10(20)4-14-8(18)2-12-6-16;1-2;;;;;/h6H,2-5H2,1H3,(H,11,17)(H,12,16)(H,13,19)(H,14,18)(H,15,20);1-2H3;5*1H
InChIKeyYTDNPLYIGJVGQL-UHFFFAOYSA-N
XLogP-1.92
TPSA145.50 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen with MolForge

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Related Compounds

2-formamido-N-[2-(methoxymethylamino)-2-oxoethyl]acetamide
CID 170751982
N-ethyl-2-formamidoacetamide
CID 14481878
2-formamido-N-[2-(methylamino)ethyl]acetamide
CID 144693506
2-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]ethylamino]acetic acid
CID 89108194
N-[2-(2-methylhydrazinyl)-2-oxoethyl]formamide
CID 145297208
5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 43529039
N-(cyanomethyl)-2-formamidoacetamide
CID 143975878
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
CID 78912839
N-methyl-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 144980882
2-[[(2-formamidoacetyl)amino]methoxy]-N-methylpropanamide
CID 177180356
N-(ethoxymethyl)-2-formamidoacetamide
CID 144895725
methyl 3-[(2-formamidoacetyl)amino]propanoate
CID 127519438

Frequently Asked Questions

What is the IUPAC name of ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen?
The IUPAC name of ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen (CID 169185190) is ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen.
What is the SMILES notation for ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen?
The canonical SMILES for ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen is CC.CNC(=O)CNC(=O)CNC(=O)CNC(=O)CNC=O.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen?
The InChIKey is YTDNPLYIGJVGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O5.C2H6.5H2/c1-11-7(17)3-13-9(19)5-15-10(20)4-14-8(18)2-12-6-16;1-2;;;;;/h6H,2-5H2,1H3,(H,11,17)(H,12,16)(H,13,19)(H,14,18)(H,15,20);1-2H3;5*1H.
What are the key properties of ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen?
ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen has a molecular weight of 327.43 g/mol, XLogP of -1.92, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-formamido-N-[2-[[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]acetamide;molecular hydrogen is sourced from PubChem (CID 169185190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).