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

C9H17NO2 — CID 138750490

IUPACN-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(11)10-6-7-12-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyLGAFWZNFZXUGLR-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds4

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

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide (PubChem CID 138750490) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide
PubChem CID138750490
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCOC(C)(C)C
InChIInChI=1S/C9H17NO2/c1-5-8(11)10-6-7-12-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11)
InChIKeyLGAFWZNFZXUGLR-UHFFFAOYSA-N
XLogP1.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
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?
The IUPAC name of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide (CID 138750490) is N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide is C=CC(=O)NCCOC(C)(C)C.
What is the InChIKey of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide?
The InChIKey is LGAFWZNFZXUGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-8(11)10-6-7-12-9(2,3)4/h5H,1,6-7H2,2-4H3,(H,10,11).
What are the key properties of N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide?
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]prop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.10, 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 is sourced from PubChem (CID 138750490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).