N-(4-phenylmethoxybut-2-ynyl)benzamide

C18H17NO2 — CID 5461831

IUPACN-(4-phenylmethoxybut-2-ynyl)benzamide
SMILESO=C(NCC#CCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO2/c20-18(17-11-5-2-6-12-17)19-13-7-8-14-21-15-16-9-3-1-4-10-16/h1-6,9-12H,13-15H2,(H,19,20)
InChIKeyOAULZWAGULFTJK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.64
Rot. Bonds5

About N-(4-phenylmethoxybut-2-ynyl)benzamide

N-(4-phenylmethoxybut-2-ynyl)benzamide (PubChem CID 5461831) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-phenylmethoxybut-2-ynyl)benzamide.

Molecular Properties

Compound NameN-(4-phenylmethoxybut-2-ynyl)benzamide
PubChem CID5461831
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC NameN-(4-phenylmethoxybut-2-ynyl)benzamide
SMILESO=C(NCC#CCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H17NO2/c20-18(17-11-5-2-6-12-17)19-13-7-8-14-21-15-16-9-3-1-4-10-16/h1-6,9-12H,13-15H2,(H,19,20)
InChIKeyOAULZWAGULFTJK-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxybut-2-ynyl)benzamide?
The IUPAC name of N-(4-phenylmethoxybut-2-ynyl)benzamide (CID 5461831) is N-(4-phenylmethoxybut-2-ynyl)benzamide.
What is the SMILES notation for N-(4-phenylmethoxybut-2-ynyl)benzamide?
The canonical SMILES for N-(4-phenylmethoxybut-2-ynyl)benzamide is O=C(NCC#CCOCc1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-phenylmethoxybut-2-ynyl)benzamide?
The InChIKey is OAULZWAGULFTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(17-11-5-2-6-12-17)19-13-7-8-14-21-15-16-9-3-1-4-10-16/h1-6,9-12H,13-15H2,(H,19,20).
What are the key properties of N-(4-phenylmethoxybut-2-ynyl)benzamide?
N-(4-phenylmethoxybut-2-ynyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxybut-2-ynyl)benzamide is sourced from PubChem (CID 5461831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).