N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide

C14H17NO3 — CID 143844107

IUPACN-[4-(oxan-2-yloxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C14H17NO3/c1-2-13(16)15-11-6-8-12(9-7-11)18-14-5-3-4-10-17-14/h2,6-9,14H,1,3-5,10H2,(H,15,16)
InChIKeyMSBUHFVUEACCKK-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.72
Rot. Bonds4

About N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide

N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide (PubChem CID 143844107) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(oxan-2-yloxy)phenyl]prop-2-enamide
PubChem CID143844107
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[4-(oxan-2-yloxy)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OC2CCCCO2)cc1
InChIInChI=1S/C14H17NO3/c1-2-13(16)15-11-6-8-12(9-7-11)18-14-5-3-4-10-17-14/h2,6-9,14H,1,3-5,10H2,(H,15,16)
InChIKeyMSBUHFVUEACCKK-UHFFFAOYSA-N
XLogP2.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
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 N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide (CID 143844107) is N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(OC2CCCCO2)cc1.
What is the InChIKey of N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide?
The InChIKey is MSBUHFVUEACCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-13(16)15-11-6-8-12(9-7-11)18-14-5-3-4-10-17-14/h2,6-9,14H,1,3-5,10H2,(H,15,16).
What are the key properties of N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide?
N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide has a molecular weight of 247.29 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxan-2-yloxy)phenyl]prop-2-enamide is sourced from PubChem (CID 143844107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).