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

Related Compounds

2-(tert-Butylamino)ethyl methacrylate
CID 19601
2-Propenoic acid, 2-methyl-, 2-(2-oxo-1-imidazolidinyl)ethyl ester
CID 643493
N,N'-bis-(2-methacryloyloxyethyl)-urea
CID 15208782
2,2-Dimethylaminoethyl methacrylate
CID 53783897
2-(3,3-Diethylureido)ethyl methacrylate
CID 71722587
2-(3-(tert-Butyl)-3-methylureido)ethyl methacrylate
CID 72706023
2-(dimethylamino)ethyl 2-methylprop-2-enoate;N-propan-2-ylprop-2-enamide
CID 137481221
Dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]-[1-(2-oxoimidazolidin-1-yl)ethyl]azanium chloride
CID 3022921
(2-(Methacryloyloxy)ethyl)dimethyl((2-oxoimidazolidin-1-yl)ethyl)ammonium chloride
CID 44150657
2-(2,2,2-Trifluoroethylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 178601928
Methyl 2-methylprop-2-enoate;2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
CID 161560407
2-(3-(tert-Butyl)-3-isopropylureido)ethyl methacrylate
CID 72706021

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).