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

C12H22N2O3 — CID 72706023

IUPAC2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(C)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-9(2)10(15)17-8-7-13-11(16)14(6)12(3,4)5/h1,7-8H2,2-6H3,(H,13,16)
InChIKeyKUYYSYVPIKMQSW-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.55
Rot. Bonds4

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

2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 72706023) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID72706023
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(C)C(C)(C)C
InChIInChI=1S/C12H22N2O3/c1-9(2)10(15)17-8-7-13-11(16)14(6)12(3,4)5/h1,7-8H2,2-6H3,(H,13,16)
InChIKeyKUYYSYVPIKMQSW-UHFFFAOYSA-N
XLogP1.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.55
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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Related Compounds

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-ethylureido)ethyl methacrylate
CID 72706022
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
2-(3,3-Diisopropylureido)ethyl methacrylate
CID 72706024
2-[(3,3,3-Trifluoro-2-methylpropyl)carbamoylamino]ethyl 2-methylprop-2-enoate
CID 157933894

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate (CID 72706023) is 2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N(C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is KUYYSYVPIKMQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(2)10(15)17-8-7-13-11(16)14(6)12(3,4)5/h1,7-8H2,2-6H3,(H,13,16).
What are the key properties of 2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 242.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(methyl)carbamoyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 72706023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).