4-(phenoxymethyl)-N-prop-2-ynylbenzamide

C17H15NO2 — CID 39737071

IUPAC4-(phenoxymethyl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C17H15NO2/c1-2-12-18-17(19)15-10-8-14(9-11-15)13-20-16-6-4-3-5-7-16/h1,3-11H,12-13H2,(H,18,19)
InChIKeyUPUZMIJFLTWSAO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.63
Rot. Bonds5

About 4-(phenoxymethyl)-N-prop-2-ynylbenzamide

4-(phenoxymethyl)-N-prop-2-ynylbenzamide (PubChem CID 39737071) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(phenoxymethyl)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name4-(phenoxymethyl)-N-prop-2-ynylbenzamide
PubChem CID39737071
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(phenoxymethyl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1ccc(COc2ccccc2)cc1
InChIInChI=1S/C17H15NO2/c1-2-12-18-17(19)15-10-8-14(9-11-15)13-20-16-6-4-3-5-7-16/h1,3-11H,12-13H2,(H,18,19)
InChIKeyUPUZMIJFLTWSAO-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-3-methylbutan-2-yl]-4-(phenoxymethyl)benzamide
CID 41380086
N-[2-(ethylamino)ethyl]-4-(phenoxymethyl)benzamide;hydrochloride
CID 119506574
4-phenylmethoxy-N-propylbenzamide
CID 4958389
4-(phenoxymethyl)-N-phenylmethoxybenzamide
CID 41450965
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(phenoxymethyl)benzamide
CID 4781249
N-pentan-3-yl-4-(phenoxymethyl)benzamide
CID 55345339
N-methyl-4-phenylmethoxybenzamide
CID 2996745
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide
CID 122188015
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
N-(1-hydroxy-2-methylpropan-2-yl)-4-(phenoxymethyl)benzamide
CID 110878329
4-(phenoxymethyl)-N-(1-phenylethyl)benzamide
CID 112759831

Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-N-prop-2-ynylbenzamide?
The IUPAC name of 4-(phenoxymethyl)-N-prop-2-ynylbenzamide (CID 39737071) is 4-(phenoxymethyl)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 4-(phenoxymethyl)-N-prop-2-ynylbenzamide?
The canonical SMILES for 4-(phenoxymethyl)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1ccc(COc2ccccc2)cc1.
What is the InChIKey of 4-(phenoxymethyl)-N-prop-2-ynylbenzamide?
The InChIKey is UPUZMIJFLTWSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-12-18-17(19)15-10-8-14(9-11-15)13-20-16-6-4-3-5-7-16/h1,3-11H,12-13H2,(H,18,19).
What are the key properties of 4-(phenoxymethyl)-N-prop-2-ynylbenzamide?
4-(phenoxymethyl)-N-prop-2-ynylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 39737071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).