2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate

C10H18N2O3 — CID 143586644

IUPAC2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
SMILESC=CC(=O)NCCOC(=O)NC(C)(C)C
InChIInChI=1S/C10H18N2O3/c1-5-8(13)11-6-7-15-9(14)12-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)(H,12,14)
InChIKeyVDBJAMJRCHOJAJ-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.81
Rot. Bonds4

About 2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate

2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate (PubChem CID 143586644) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
PubChem CID143586644
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate
SMILESC=CC(=O)NCCOC(=O)NC(C)(C)C
InChIInChI=1S/C10H18N2O3/c1-5-8(13)11-6-7-15-9(14)12-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)(H,12,14)
InChIKeyVDBJAMJRCHOJAJ-UHFFFAOYSA-N
XLogP0.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
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-(prop-2-enoylamino)ethyl 2,2-dimethylpropanoate
CID 167093318
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-(prop-2-enoylamino)ethyl 2-hydroxypropanoate
CID 87097476
tert-butyl N-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 101164544
N-[2-(2-aminoethoxy)ethyl]prop-2-enamide
CID 88553408
N-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 172914434
ethenyl 2-(prop-2-enoylamino)ethyl carbonate
CID 146262036
N-(3-amino-3-methylbutyl)prop-2-enamide
CID 18522820
2-(prop-2-enoylamino)ethyl N-benzylcarbamate
CID 166676407
N-tert-butylprop-2-enamide;sulfane
CID 158648389
N-(3-aminopropyl)prop-2-enamide;chloromethane
CID 126509380
3-(prop-2-enoylamino)propyl 2-methylpropanoate
CID 147188833

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate (CID 143586644) is 2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate is C=CC(=O)NCCOC(=O)NC(C)(C)C.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate?
The InChIKey is VDBJAMJRCHOJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-5-8(13)11-6-7-15-9(14)12-10(2,3)4/h5H,1,6-7H2,2-4H3,(H,11,13)(H,12,14).
What are the key properties of 2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate?
2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate has a molecular weight of 214.26 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoylamino)ethyl N-tert-butylcarbamate is sourced from PubChem (CID 143586644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).