2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene

C19H40N4O4 — CID 176986674

IUPAC2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene
SMILESCC.CCC(=O)CNC(=O)CNC(=O)CNC(=O)CN.Cc1ccccc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C10H18N4O4.C7H8.C2H6.4H2/c1-2-7(15)4-12-9(17)6-14-10(18)5-13-8(16)3-11;1-7-5-3-2-4-6-7;1-2;;;;/h2-6,11H2,1H3,(H,12,17)(H,13,16)(H,14,18);2-6H,1H3;1-2H3;4*1H
InChIKeyFXNUTLKTSXOKQR-UHFFFAOYSA-N
MW388.55 g/mol
LogP1.28
Rot. Bonds8

About 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene

2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene (PubChem CID 176986674) has the molecular formula C19H40N4O4 and a molecular weight of 388.55 g/mol. Its IUPAC name is 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene.

Molecular Properties

Compound Name2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene
PubChem CID176986674
Molecular FormulaC19H40N4O4
Molecular Weight388.55 g/mol
Exact Mass388.30
IUPAC Name2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene
SMILESCC.CCC(=O)CNC(=O)CNC(=O)CNC(=O)CN.Cc1ccccc1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C10H18N4O4.C7H8.C2H6.4H2/c1-2-7(15)4-12-9(17)6-14-10(18)5-13-8(16)3-11;1-7-5-3-2-4-6-7;1-2;;;;/h2-6,11H2,1H3,(H,12,17)(H,13,16)(H,14,18);2-6H,1H3;1-2H3;4*1H
InChIKeyFXNUTLKTSXOKQR-UHFFFAOYSA-N
XLogP1.28
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.55
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene with MolForge

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Related Compounds

molecular hydrogen;N-(2-oxobutyl)-2-phenylacetamide
CID 144547081
methanol;propanoic acid;toluene
CID 70424209
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CID 60848997
2-amino-N-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]acetamide
CID 54861871
2-amino-N-[2-[[2-(dimethylamino)-2-phenylethyl]amino]-2-oxoethyl]acetamide
CID 61251719
2-(methylamino)-N-[2-oxo-2-(2-oxobutylamino)ethyl]acetamide
CID 175620098
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 60848322
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
2-aminoethylcarbamic acid;toluene
CID 70566419
2-acetamidoacetamide;ethane;toluene
CID 145152417
S-phenyl 2-[(2-aminoacetyl)amino]ethanethioate
CID 162410967
2-amino-N-[2-(3,5-dimethylanilino)-2-oxoethyl]acetamide
CID 60848808

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene?
The IUPAC name of 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene (CID 176986674) is 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene.
What is the SMILES notation for 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene?
The canonical SMILES for 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene is CC.CCC(=O)CNC(=O)CNC(=O)CNC(=O)CN.Cc1ccccc1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene?
The InChIKey is FXNUTLKTSXOKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4.C7H8.C2H6.4H2/c1-2-7(15)4-12-9(17)6-14-10(18)5-13-8(16)3-11;1-7-5-3-2-4-6-7;1-2;;;;/h2-6,11H2,1H3,(H,12,17)(H,13,16)(H,14,18);2-6H,1H3;1-2H3;4*1H.
What are the key properties of 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene?
2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene has a molecular weight of 388.55 g/mol, XLogP of 1.28, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-oxo-2-[[2-oxo-2-(2-oxobutylamino)ethyl]amino]ethyl]acetamide;ethane;molecular hydrogen;toluene is sourced from PubChem (CID 176986674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).