ethyl carbamate;N-propan-2-ylprop-2-enamide

C9H18N2O3 — CID 174626008

IUPACethyl carbamate;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.CCOC(N)=O
InChIInChI=1S/C6H11NO.C3H7NO2/c1-4-6(8)7-5(2)3;1-2-6-3(4)5/h4-5H,1H2,2-3H3,(H,7,8);2H2,1H3,(H2,4,5)
InChIKeyYQKAXFMUPCVGCP-UHFFFAOYSA-N
MW202.25 g/mol
LogP0.80
Rot. Bonds3

About ethyl carbamate;N-propan-2-ylprop-2-enamide

ethyl carbamate;N-propan-2-ylprop-2-enamide (PubChem CID 174626008) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl carbamate;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Nameethyl carbamate;N-propan-2-ylprop-2-enamide
PubChem CID174626008
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Nameethyl carbamate;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.CCOC(N)=O
InChIInChI=1S/C6H11NO.C3H7NO2/c1-4-6(8)7-5(2)3;1-2-6-3(4)5/h4-5H,1H2,2-3H3,(H,7,8);2H2,1H3,(H2,4,5)
InChIKeyYQKAXFMUPCVGCP-UHFFFAOYSA-N
XLogP0.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl carbamate;N-propan-2-ylprop-2-enamide?
The IUPAC name of ethyl carbamate;N-propan-2-ylprop-2-enamide (CID 174626008) is ethyl carbamate;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for ethyl carbamate;N-propan-2-ylprop-2-enamide?
The canonical SMILES for ethyl carbamate;N-propan-2-ylprop-2-enamide is C=CC(=O)NC(C)C.CCOC(N)=O.
What is the InChIKey of ethyl carbamate;N-propan-2-ylprop-2-enamide?
The InChIKey is YQKAXFMUPCVGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H7NO2/c1-4-6(8)7-5(2)3;1-2-6-3(4)5/h4-5H,1H2,2-3H3,(H,7,8);2H2,1H3,(H2,4,5).
What are the key properties of ethyl carbamate;N-propan-2-ylprop-2-enamide?
ethyl carbamate;N-propan-2-ylprop-2-enamide has a molecular weight of 202.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl carbamate;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 174626008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).