N-phenylmethoxy-N-prop-2-ynylbenzamide

C17H15NO2 — CID 117060219

IUPACN-phenylmethoxy-N-prop-2-ynylbenzamide
SMILESC#CCN(OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-2-13-18(17(19)16-11-7-4-8-12-16)20-14-15-9-5-3-6-10-15/h1,3-12H,13-14H2
InChIKeyAVUISXRMOYCADX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.89
Rot. Bonds5

About N-phenylmethoxy-N-prop-2-ynylbenzamide

N-phenylmethoxy-N-prop-2-ynylbenzamide (PubChem CID 117060219) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-phenylmethoxy-N-prop-2-ynylbenzamide.

Molecular Properties

Compound NameN-phenylmethoxy-N-prop-2-ynylbenzamide
PubChem CID117060219
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC NameN-phenylmethoxy-N-prop-2-ynylbenzamide
SMILESC#CCN(OCc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-2-13-18(17(19)16-11-7-4-8-12-16)20-14-15-9-5-3-6-10-15/h1,3-12H,13-14H2
InChIKeyAVUISXRMOYCADX-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-N-prop-2-ynylbenzamide?
The IUPAC name of N-phenylmethoxy-N-prop-2-ynylbenzamide (CID 117060219) is N-phenylmethoxy-N-prop-2-ynylbenzamide.
What is the SMILES notation for N-phenylmethoxy-N-prop-2-ynylbenzamide?
The canonical SMILES for N-phenylmethoxy-N-prop-2-ynylbenzamide is C#CCN(OCc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-phenylmethoxy-N-prop-2-ynylbenzamide?
The InChIKey is AVUISXRMOYCADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-13-18(17(19)16-11-7-4-8-12-16)20-14-15-9-5-3-6-10-15/h1,3-12H,13-14H2.
What are the key properties of N-phenylmethoxy-N-prop-2-ynylbenzamide?
N-phenylmethoxy-N-prop-2-ynylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-N-prop-2-ynylbenzamide is sourced from PubChem (CID 117060219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).