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

C14H26N2O3 — CID 72706021

IUPAC2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(C(C)C)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)12(17)19-9-8-15-13(18)16(11(3)4)14(5,6)7/h11H,1,8-9H2,2-7H3,(H,15,18)
InChIKeyLMPUTXAPTDHMJX-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.32
Rot. Bonds5

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

2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate (PubChem CID 72706021) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate
PubChem CID72706021
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)N(C(C)C)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-10(2)12(17)19-9-8-15-13(18)16(11(3)4)14(5,6)7/h11H,1,8-9H2,2-7H3,(H,15,18)
InChIKeyLMPUTXAPTDHMJX-UHFFFAOYSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate (CID 72706021) is 2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)N(C(C)C)C(C)(C)C.
What is the InChIKey of 2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
The InChIKey is LMPUTXAPTDHMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)12(17)19-9-8-15-13(18)16(11(3)4)14(5,6)7/h11H,1,8-9H2,2-7H3,(H,15,18).
What are the key properties of 2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate?
2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate has a molecular weight of 270.37 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[tert-butyl(propan-2-yl)carbamoyl]amino]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 72706021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).