N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen

C9H19NO2 — CID 160911040

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen
SMILESC=CC(=O)NCCOC(C)(C)C.[H][H]
InChIInChI=1S/C9H17NO2.H2/c1-5-8(11)10-6-7-12-9(2,3)4;/h5H,1,6-7H2,2-4H3,(H,10,11);1H
InChIKeySQTYWTJKMGKANC-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.35
Rot. Bonds4

About N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen (PubChem CID 160911040) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen
PubChem CID160911040
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen
SMILESC=CC(=O)NCCOC(C)(C)C.[H][H]
InChIInChI=1S/C9H17NO2.H2/c1-5-8(11)10-6-7-12-9(2,3)4;/h5H,1,6-7H2,2-4H3,(H,10,11);1H
InChIKeySQTYWTJKMGKANC-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen (CID 160911040) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen is C=CC(=O)NCCOC(C)(C)C.[H][H].
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen?
The InChIKey is SQTYWTJKMGKANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.H2/c1-5-8(11)10-6-7-12-9(2,3)4;/h5H,1,6-7H2,2-4H3,(H,10,11);1H.
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen has a molecular weight of 173.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide;molecular hydrogen is sourced from PubChem (CID 160911040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).