4-(4-phenylbutyl)-N-phosphanyloxybenzamide

C17H20NO2P — CID 22986824

IUPAC4-(4-phenylbutyl)-N-phosphanyloxybenzamide
SMILESO=C(NOP)c1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C17H20NO2P/c19-17(18-20-21)16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9,21H2,(H,18,19)
InChIKeyUXDXAXQTMGLZCP-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.70
Rot. Bonds7

About 4-(4-phenylbutyl)-N-phosphanyloxybenzamide

4-(4-phenylbutyl)-N-phosphanyloxybenzamide (PubChem CID 22986824) has the molecular formula C17H20NO2P and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-(4-phenylbutyl)-N-phosphanyloxybenzamide.

Molecular Properties

Compound Name4-(4-phenylbutyl)-N-phosphanyloxybenzamide
PubChem CID22986824
Molecular FormulaC17H20NO2P
Molecular Weight301.33 g/mol
Exact Mass301.12
IUPAC Name4-(4-phenylbutyl)-N-phosphanyloxybenzamide
SMILESO=C(NOP)c1ccc(CCCCc2ccccc2)cc1
InChIInChI=1S/C17H20NO2P/c19-17(18-20-21)16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9,21H2,(H,18,19)
InChIKeyUXDXAXQTMGLZCP-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-4-(4-phenylbutyl)benzohydrazide
CID 89470701
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
5-phenylpentyl N-[(4-fluorobenzoyl)amino]carbamate
CID 6735143
[[2-[4-(4-phenylbutyl)phenyl]acetyl]amino] 2-aminoacetate;hydrochloride
CID 118235121
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-(2-phenylethyl)benzamide
CID 23130460
4-phenylbutylbenzene
CID 141301927
4-[[diiodo-[4-(8-phenyloctylcarbamoyl)phenyl]methoxy]-diiodomethyl]-N-(8-phenyloctyl)benzamide
CID 141017133
[[2-[4-(4-phenylbutyl)phenyl]acetyl]amino] 2-aminopropanoate
CID 143492703
4-(4-phenylbutoxy)benzamide
CID 11963163

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylbutyl)-N-phosphanyloxybenzamide?
The IUPAC name of 4-(4-phenylbutyl)-N-phosphanyloxybenzamide (CID 22986824) is 4-(4-phenylbutyl)-N-phosphanyloxybenzamide.
What is the SMILES notation for 4-(4-phenylbutyl)-N-phosphanyloxybenzamide?
The canonical SMILES for 4-(4-phenylbutyl)-N-phosphanyloxybenzamide is O=C(NOP)c1ccc(CCCCc2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylbutyl)-N-phosphanyloxybenzamide?
The InChIKey is UXDXAXQTMGLZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20NO2P/c19-17(18-20-21)16-12-10-15(11-13-16)9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-13H,4-5,8-9,21H2,(H,18,19).
What are the key properties of 4-(4-phenylbutyl)-N-phosphanyloxybenzamide?
4-(4-phenylbutyl)-N-phosphanyloxybenzamide has a molecular weight of 301.33 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylbutyl)-N-phosphanyloxybenzamide is sourced from PubChem (CID 22986824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).