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

C15H28N2O3 — CID 54523136

IUPAC2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C(=O)NCCCC)C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-7-8-9-16-14(19)17(15(4,5)6)10-11-20-13(18)12(2)3/h2,7-11H2,1,3-6H3,(H,16,19)
InChIKeyYRGGDTFYCLUICG-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.72
Rot. Bonds7

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

2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate (PubChem CID 54523136) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate
PubChem CID54523136
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCN(C(=O)NCCCC)C(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-7-8-9-16-14(19)17(15(4,5)6)10-11-20-13(18)12(2)3/h2,7-11H2,1,3-6H3,(H,16,19)
InChIKeyYRGGDTFYCLUICG-UHFFFAOYSA-N
XLogP2.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.72
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(butylcarbamoyl)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-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 160699665
2-[tert-butyl-[6-[[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[4-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate;2-[tert-butyl-[6-[[4-[6-[[tert-butyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]hexyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexylcarbamoyl]carbamoyl]oxybutoxycarbonyl-[6-[[tert-butyl(2-prop-2-enoyloxyethyl)carbamoyl]amino]hexyl]carbamoyl]amino]hexylcarbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 161111351
2-(dipentylamino)ethyl 2-methylprop-2-enoate
CID 54255314
butyl 2-methylprop-2-enoate;2-(dimethylamino)ethyl 2-methylprop-2-enoate
CID 87280234
2-(heptadecylcarbamoyloxy)ethyl 2-methylprop-2-enoate
CID 171651386
butyl 2-methylprop-2-enoate;λ2-stannane
CID 173448670
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
butyl 2-methylprop-2-enoate;methane
CID 159646333
butyl 2-methylprop-2-enoate;ethene
CID 158758814
2-[[ethoxycarbonyl-[2-(2-methylprop-2-enoyloxy)ethyl]carbamoyl]amino]ethyl 2-methylprop-2-enoate
CID 88559321
3-acetamidopropyl 2-methylprop-2-enoate
CID 15055173
2-(2-methyltridecan-2-ylamino)ethyl 2-methylprop-2-enoate
CID 89314536

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate (CID 54523136) is 2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCN(C(=O)NCCCC)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate?
The InChIKey is YRGGDTFYCLUICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-7-8-9-16-14(19)17(15(4,5)6)10-11-20-13(18)12(2)3/h2,7-11H2,1,3-6H3,(H,16,19).
What are the key properties of 2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate?
2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate has a molecular weight of 284.40 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(butylcarbamoyl)amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 54523136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).