N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide

C15H25N3O5 — CID 139972989

IUPACN-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCOCC(O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C15H25N3O5/c1-4-17-6-7-18(15(22)14(17)21)9-12(19)10-23-8-5-16-13(20)11(2)3/h12,19H,2,4-10H2,1,3H3,(H,16,20)
InChIKeyPFYDPBIQHWZSGS-UHFFFAOYSA-N
MW327.38 g/mol
LogP-1.25
Rot. Bonds9

About N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide

N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide (PubChem CID 139972989) has the molecular formula C15H25N3O5 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide
PubChem CID139972989
Molecular FormulaC15H25N3O5
Molecular Weight327.38 g/mol
Exact Mass327.18
IUPAC NameN-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCOCC(O)CN1CCN(CC)C(=O)C1=O
InChIInChI=1S/C15H25N3O5/c1-4-17-6-7-18(15(22)14(17)21)9-12(19)10-23-8-5-16-13(20)11(2)3/h12,19H,2,4-10H2,1,3H3,(H,16,20)
InChIKeyPFYDPBIQHWZSGS-UHFFFAOYSA-N
XLogP-1.25
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 139972981
2-methyl-N-[2-(2-methylpropoxy)ethyl]prop-2-enamide
CID 22336753
2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide
CID 139972941
2-(2-methylprop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87093893
N-[2-(2,3-dihydroxypropoxy)ethyl]-2-methylprop-2-enamide;N-[2-[3-(1-ethoxyethoxy)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide;N-(2-hydroxyethyl)-2-methylprop-2-enamide
CID 157251319
N-[3-hydroxy-4-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]butyl]-2-methylprop-2-enamide
CID 140853527
2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide
CID 19767348
N-[2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 46492120
methyl 4-[2-[2-[2-(2-methylprop-2-enoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoate
CID 25221074
1-ethyl-4-(2-hydroxy-2-phenylethyl)piperazine-2,3-dione
CID 60886984
N-[2-(2-methoxyethylamino)ethyl]-2-methylprop-2-enamide
CID 123448729
3-(2-methylprop-2-enoylamino)propyl 2-hydroxypropanoate
CID 87094013

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide (CID 139972989) is N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCOCC(O)CN1CCN(CC)C(=O)C1=O.
What is the InChIKey of N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide?
The InChIKey is PFYDPBIQHWZSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5/c1-4-17-6-7-18(15(22)14(17)21)9-12(19)10-23-8-5-16-13(20)11(2)3/h12,19H,2,4-10H2,1,3H3,(H,16,20).
What are the key properties of N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide?
N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of -1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 139972989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).