ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen

C18H33N5O3 — CID 178007880

IUPACethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen
SMILESCC.CCC1CC(=O)N(Cc2cn(CCC(=O)NCC(C)C)nn2)C1=O.[H][H]
InChIInChI=1S/C16H25N5O3.C2H6.H2/c1-4-12-7-15(23)21(16(12)24)10-13-9-20(19-18-13)6-5-14(22)17-8-11(2)3;1-2;/h9,11-12H,4-8,10H2,1-3H3,(H,17,22);1-2H3;1H
InChIKeyUYBOXAOOXAFHGH-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.00
Rot. Bonds8

About ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen

ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen (PubChem CID 178007880) has the molecular formula C18H33N5O3 and a molecular weight of 367.49 g/mol. Its IUPAC name is ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen
PubChem CID178007880
Molecular FormulaC18H33N5O3
Molecular Weight367.49 g/mol
Exact Mass367.26
IUPAC Nameethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen
SMILESCC.CCC1CC(=O)N(Cc2cn(CCC(=O)NCC(C)C)nn2)C1=O.[H][H]
InChIInChI=1S/C16H25N5O3.C2H6.H2/c1-4-12-7-15(23)21(16(12)24)10-13-9-20(19-18-13)6-5-14(22)17-8-11(2)3;1-2;/h9,11-12H,4-8,10H2,1-3H3,(H,17,22);1-2H3;1H
InChIKeyUYBOXAOOXAFHGH-UHFFFAOYSA-N
XLogP2.00
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 126550295
3-[4-(4-methyl-3-oxopentyl)triazol-1-yl]-N-propylpropanamide;molecular hydrogen
CID 178007494
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 67977208
ethane;3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 155745456
N-[[1-[3-(2-methylbutylamino)-3-oxopropyl]triazol-4-yl]methyl]-4-oxohexanamide
CID 176953322
N-ethyl-3-[4-(2-hydroxyethyl)triazol-1-yl]propanamide
CID 62399822
3-butan-2-yl-1-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]pyrrolidine-2,5-dione
CID 167448063
4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[4-oxo-4-(propan-2-ylamino)butoxy]ethyl]butanamide
CID 167208033
1-(3,3-dimethylbutyl)-3-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]urea
CID 145076653
2-amino-3-[2,5-dioxo-1-[[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]methyl]pyrrolidin-3-yl]sulfanylpropanoic acid
CID 138630639
ethane;4-(methylamino)-N-[[1-(4-methylpentyl)triazol-4-yl]methyl]butanamide;propanal
CID 171554916
3-[4-(1-aminoethyl)triazol-1-yl]-N-ethylpropanamide
CID 114419407

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen?
The IUPAC name of ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen (CID 178007880) is ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen.
What is the SMILES notation for ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen?
The canonical SMILES for ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen is CC.CCC1CC(=O)N(Cc2cn(CCC(=O)NCC(C)C)nn2)C1=O.[H][H].
What is the InChIKey of ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen?
The InChIKey is UYBOXAOOXAFHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3.C2H6.H2/c1-4-12-7-15(23)21(16(12)24)10-13-9-20(19-18-13)6-5-14(22)17-8-11(2)3;1-2;/h9,11-12H,4-8,10H2,1-3H3,(H,17,22);1-2H3;1H.
What are the key properties of ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen?
ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen has a molecular weight of 367.49 g/mol, XLogP of 2.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-[(3-ethyl-2,5-dioxopyrrolidin-1-yl)methyl]triazol-1-yl]-N-(2-methylpropyl)propanamide;molecular hydrogen is sourced from PubChem (CID 178007880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).