2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate

C17H31N3O4 — CID 130348448

IUPAC2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCNC(=O)C(C)(CC)CCC
InChIInChI=1S/C17H31N3O4/c1-6-8-17(5,7-2)15(22)18-9-10-19-16(23)20-11-12-24-14(21)13(3)4/h3,6-12H2,1-2,4-5H3,(H,18,22)(H2,19,20,23)
InChIKeyHGFYYOCNNHCAPQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.74
Rot. Bonds11

About 2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate

2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 130348448) has the molecular formula C17H31N3O4 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID130348448
Molecular FormulaC17H31N3O4
Molecular Weight341.45 g/mol
Exact Mass341.23
IUPAC Name2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCNC(=O)C(C)(CC)CCC
InChIInChI=1S/C17H31N3O4/c1-6-8-17(5,7-2)15(22)18-9-10-19-16(23)20-11-12-24-14(21)13(3)4/h3,6-12H2,1-2,4-5H3,(H,18,22)(H2,19,20,23)
InChIKeyHGFYYOCNNHCAPQ-UHFFFAOYSA-N
XLogP1.74
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
CID 90228448
2-[(2-ethyl-2-methyl-3-oxobutoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 58965886
2-(propoxycarbonylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate;2-(propylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 158424500
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamoylamino]ethyl 2-methylprop-2-enoate
CID 59903020
2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate
CID 146334641
2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 91694697
2-[3-[dimethyl-[3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propyl]silyl]propylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 158258560
3,3-dimethylhexyl 2-methylprop-2-enoate
CID 59157270
2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]-2-oxoacetyl]oxyethyl 2,2-dimethylbutanoate
CID 58611640
(1-chloro-2-methylpropan-2-yl) 2-methyl-3-[2-(2-methylprop-2-enoyloxy)ethylcarbamoylamino]propanoate
CID 20643869
2-[(methoxycarbonylamino)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 166799947
2-(propylamino)ethyl 2-methylprop-2-enoate
CID 18325626

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate (CID 130348448) is 2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NCCNC(=O)C(C)(CC)CCC.
What is the InChIKey of 2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is HGFYYOCNNHCAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O4/c1-6-8-17(5,7-2)15(22)18-9-10-19-16(23)20-11-12-24-14(21)13(3)4/h3,6-12H2,1-2,4-5H3,(H,18,22)(H2,19,20,23).
What are the key properties of 2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate?
2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 341.45 g/mol, XLogP of 1.74, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 130348448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).