2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide

C14H17NO2 — CID 54756556

IUPAC2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide
SMILESC=CCN(OCc1ccccc1)C(=O)C(=C)C
InChIInChI=1S/C14H17NO2/c1-4-10-15(14(16)12(2)3)17-11-13-8-6-5-7-9-13/h4-9H,1-2,10-11H2,3H3
InChIKeyXFVPWXCVJSMBIO-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.71
Rot. Bonds6

About 2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide

2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide (PubChem CID 54756556) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide
PubChem CID54756556
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide
SMILESC=CCN(OCc1ccccc1)C(=O)C(=C)C
InChIInChI=1S/C14H17NO2/c1-4-10-15(14(16)12(2)3)17-11-13-8-6-5-7-9-13/h4-9H,1-2,10-11H2,3H3
InChIKeyXFVPWXCVJSMBIO-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide (CID 54756556) is 2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide is C=CCN(OCc1ccccc1)C(=O)C(=C)C.
What is the InChIKey of 2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide?
The InChIKey is XFVPWXCVJSMBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-10-15(14(16)12(2)3)17-11-13-8-6-5-7-9-13/h4-9H,1-2,10-11H2,3H3.
What are the key properties of 2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide?
2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide has a molecular weight of 231.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-phenylmethoxy-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 54756556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).