2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide

C18H18N2O3 — CID 2194371

IUPAC2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-12-19-18(22)15-10-6-7-11-16(15)20-17(21)13-23-14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H,19,22)(H,20,21)
InChIKeyBVPTWNLVQYNXRK-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.62
Rot. Bonds7

About 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide

2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide (PubChem CID 2194371) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide
PubChem CID2194371
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1
InChIInChI=1S/C18H18N2O3/c1-2-12-19-18(22)15-10-6-7-11-16(15)20-17(21)13-23-14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H,19,22)(H,20,21)
InChIKeyBVPTWNLVQYNXRK-UHFFFAOYSA-N
XLogP2.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide?
The IUPAC name of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide (CID 2194371) is 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide?
The canonical SMILES for 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccccc1NC(=O)COc1ccccc1.
What is the InChIKey of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide?
The InChIKey is BVPTWNLVQYNXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-12-19-18(22)15-10-6-7-11-16(15)20-17(21)13-23-14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H,19,22)(H,20,21).
What are the key properties of 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide?
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide has a molecular weight of 310.35 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenoxyacetyl)amino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 2194371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).