N-methoxy-2-(phenylmethoxyamino)prop-2-enamide

C11H14N2O3 — CID 57215057

IUPACN-methoxy-2-(phenylmethoxyamino)prop-2-enamide
SMILESC=C(NOCc1ccccc1)C(=O)NOC
InChIInChI=1S/C11H14N2O3/c1-9(11(14)13-15-2)12-16-8-10-6-4-3-5-7-10/h3-7,12H,1,8H2,2H3,(H,13,14)
InChIKeyFHORMNRECMYXHC-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.90
Rot. Bonds6

About N-methoxy-2-(phenylmethoxyamino)prop-2-enamide

N-methoxy-2-(phenylmethoxyamino)prop-2-enamide (PubChem CID 57215057) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-methoxy-2-(phenylmethoxyamino)prop-2-enamide.

Molecular Properties

Compound NameN-methoxy-2-(phenylmethoxyamino)prop-2-enamide
PubChem CID57215057
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-methoxy-2-(phenylmethoxyamino)prop-2-enamide
SMILESC=C(NOCc1ccccc1)C(=O)NOC
InChIInChI=1S/C11H14N2O3/c1-9(11(14)13-15-2)12-16-8-10-6-4-3-5-7-10/h3-7,12H,1,8H2,2H3,(H,13,14)
InChIKeyFHORMNRECMYXHC-UHFFFAOYSA-N
XLogP0.90
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 N-methoxy-2-(phenylmethoxyamino)prop-2-enamide?
The IUPAC name of N-methoxy-2-(phenylmethoxyamino)prop-2-enamide (CID 57215057) is N-methoxy-2-(phenylmethoxyamino)prop-2-enamide.
What is the SMILES notation for N-methoxy-2-(phenylmethoxyamino)prop-2-enamide?
The canonical SMILES for N-methoxy-2-(phenylmethoxyamino)prop-2-enamide is C=C(NOCc1ccccc1)C(=O)NOC.
What is the InChIKey of N-methoxy-2-(phenylmethoxyamino)prop-2-enamide?
The InChIKey is FHORMNRECMYXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-9(11(14)13-15-2)12-16-8-10-6-4-3-5-7-10/h3-7,12H,1,8H2,2H3,(H,13,14).
What are the key properties of N-methoxy-2-(phenylmethoxyamino)prop-2-enamide?
N-methoxy-2-(phenylmethoxyamino)prop-2-enamide has a molecular weight of 222.24 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-2-(phenylmethoxyamino)prop-2-enamide is sourced from PubChem (CID 57215057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).