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

C10H18N2O3 — CID 166979104

IUPAC2-(prop-2-enoylamino)ethyl N-butylcarbamate
SMILESC=CC(=O)NCCOC(=O)NCCCC
InChIInChI=1S/C10H18N2O3/c1-3-5-6-12-10(14)15-8-7-11-9(13)4-2/h4H,2-3,5-8H2,1H3,(H,11,13)(H,12,14)
InChIKeyZODVUKSNSAPIBG-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.81
Rot. Bonds7

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

2-(prop-2-enoylamino)ethyl N-butylcarbamate (PubChem CID 166979104) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(prop-2-enoylamino)ethyl N-butylcarbamate.

Molecular Properties

Compound Name2-(prop-2-enoylamino)ethyl N-butylcarbamate
PubChem CID166979104
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-(prop-2-enoylamino)ethyl N-butylcarbamate
SMILESC=CC(=O)NCCOC(=O)NCCCC
InChIInChI=1S/C10H18N2O3/c1-3-5-6-12-10(14)15-8-7-11-9(13)4-2/h4H,2-3,5-8H2,1H3,(H,11,13)(H,12,14)
InChIKeyZODVUKSNSAPIBG-UHFFFAOYSA-N
XLogP0.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoylamino)ethyl N-butylcarbamate?
The IUPAC name of 2-(prop-2-enoylamino)ethyl N-butylcarbamate (CID 166979104) is 2-(prop-2-enoylamino)ethyl N-butylcarbamate.
What is the SMILES notation for 2-(prop-2-enoylamino)ethyl N-butylcarbamate?
The canonical SMILES for 2-(prop-2-enoylamino)ethyl N-butylcarbamate is C=CC(=O)NCCOC(=O)NCCCC.
What is the InChIKey of 2-(prop-2-enoylamino)ethyl N-butylcarbamate?
The InChIKey is ZODVUKSNSAPIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-5-6-12-10(14)15-8-7-11-9(13)4-2/h4H,2-3,5-8H2,1H3,(H,11,13)(H,12,14).
What are the key properties of 2-(prop-2-enoylamino)ethyl N-butylcarbamate?
2-(prop-2-enoylamino)ethyl N-butylcarbamate has a molecular weight of 214.26 g/mol, XLogP of 0.81, 7 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-butylcarbamate is sourced from PubChem (CID 166979104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).