2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate

C10H18N2O3 — CID 18668376

IUPAC2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCC
InChIInChI=1S/C10H18N2O3/c1-4-5-11-10(14)12-6-7-15-9(13)8(2)3/h2,4-7H2,1,3H3,(H2,11,12,14)
InChIKeyDMQZWACBFJXORE-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.81
Rot. Bonds6

About 2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate

2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 18668376) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate
PubChem CID18668376
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)NCCC
InChIInChI=1S/C10H18N2O3/c1-4-5-11-10(14)12-6-7-15-9(13)8(2)3/h2,4-7H2,1,3H3,(H2,11,12,14)
InChIKeyDMQZWACBFJXORE-UHFFFAOYSA-N
XLogP0.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
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-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate (CID 18668376) is 2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)NCCC.
What is the InChIKey of 2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is DMQZWACBFJXORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-4-5-11-10(14)12-6-7-15-9(13)8(2)3/h2,4-7H2,1,3H3,(H2,11,12,14).
What are the key properties of 2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate?
2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylcarbamoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18668376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).