3-(phenoxyamino)prop-2-enamide

C9H10N2O2 — CID 91585348

IUPAC3-(phenoxyamino)prop-2-enamide
SMILESNC(=O)C=CNOc1ccccc1
InChIInChI=1S/C9H10N2O2/c10-9(12)6-7-11-13-8-4-2-1-3-5-8/h1-7,11H,(H2,10,12)
InChIKeyMEZMDLLXWRRYSG-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.57
Rot. Bonds4

About 3-(phenoxyamino)prop-2-enamide

3-(phenoxyamino)prop-2-enamide (PubChem CID 91585348) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-(phenoxyamino)prop-2-enamide.

Molecular Properties

Compound Name3-(phenoxyamino)prop-2-enamide
PubChem CID91585348
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name3-(phenoxyamino)prop-2-enamide
SMILESNC(=O)C=CNOc1ccccc1
InChIInChI=1S/C9H10N2O2/c10-9(12)6-7-11-13-8-4-2-1-3-5-8/h1-7,11H,(H2,10,12)
InChIKeyMEZMDLLXWRRYSG-UHFFFAOYSA-N
XLogP0.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-[(Z)-3-amino-3-oxoprop-1-enyl]benzamide
CID 102327969
(Z)-3-anilinoprop-2-enamide
CID 143937122
(phenoxyamino)urea
CID 67928510
(E)-3-(2-phenoxyphenyl)prop-2-enamide
CID 1490836
2,2-dimethyl-N-phenoxypropanamide
CID 20584483
2,2,2-trifluoro-N-phenoxyacetamide
CID 86124440
CID 162324012
CID 162324012
phenol;N-phenoxyacetamide
CID 174815044
1-phenoxy-3-prop-2-enylurea
CID 119090624
bis(phenoxycarbonylamino) (E)-but-2-enedioate
CID 88500231
(2E,6Z)-7-phenylhepta-2,6-dienamide
CID 70372296
3,3-bis(phenoxysilyl)prop-2-enamide
CID 154225060

Frequently Asked Questions

What is the IUPAC name of 3-(phenoxyamino)prop-2-enamide?
The IUPAC name of 3-(phenoxyamino)prop-2-enamide (CID 91585348) is 3-(phenoxyamino)prop-2-enamide.
What is the SMILES notation for 3-(phenoxyamino)prop-2-enamide?
The canonical SMILES for 3-(phenoxyamino)prop-2-enamide is NC(=O)C=CNOc1ccccc1.
What is the InChIKey of 3-(phenoxyamino)prop-2-enamide?
The InChIKey is MEZMDLLXWRRYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c10-9(12)6-7-11-13-8-4-2-1-3-5-8/h1-7,11H,(H2,10,12).
What are the key properties of 3-(phenoxyamino)prop-2-enamide?
3-(phenoxyamino)prop-2-enamide has a molecular weight of 178.19 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenoxyamino)prop-2-enamide is sourced from PubChem (CID 91585348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).