2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate

C13H24N2O3 — CID 72706022

IUPAC2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(CC)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-7-15(13(4,5)6)12(17)14-8-9-18-11(16)10(2)3/h2,7-9H2,1,3-6H3,(H,14,17)
InChIKeyHFPADFMFNQNLTH-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.94
Rot. Bonds5

About 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate

2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 72706022) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID72706022
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(CC)C(C)(C)C
InChIInChI=1S/C13H24N2O3/c1-7-15(13(4,5)6)12(17)14-8-9-18-11(16)10(2)3/h2,7-9H2,1,3-6H3,(H,14,17)
InChIKeyHFPADFMFNQNLTH-UHFFFAOYSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.94
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'}

Analyze 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate (CID 72706022) is 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N(CC)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is HFPADFMFNQNLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-7-15(13(4,5)6)12(17)14-8-9-18-11(16)10(2)3/h2,7-9H2,1,3-6H3,(H,14,17).
What are the key properties of 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 256.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(ethyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 72706022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).