2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate

C13H24N2O3 — CID 72706024

IUPAC2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)12(16)18-8-7-14-13(17)15(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3,(H,14,17)
InChIKeyJHFYOGOXZFCJPC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.93
Rot. Bonds6

About 2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate

2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate (PubChem CID 72706024) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate
PubChem CID72706024
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)12(16)18-8-7-14-13(17)15(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3,(H,14,17)
InChIKeyJHFYOGOXZFCJPC-UHFFFAOYSA-N
XLogP1.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate (CID 72706024) is 2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate?
The InChIKey is JHFYOGOXZFCJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)12(16)18-8-7-14-13(17)15(10(3)4)11(5)6/h10-11H,1,7-8H2,2-6H3,(H,14,17).
What are the key properties of 2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate?
2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate has a molecular weight of 256.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[di(propan-2-yl)carbamoylamino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 72706024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).