N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide

C15H24NO2P — CID 21338268

IUPACN-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide
SMILESCCCC(C)CP(C)(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H24NO2P/c1-4-8-13(2)11-19(3,18)12-16-15(17)14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,16,17)
InChIKeySSAKYVHTTRORJG-UHFFFAOYSA-N
MW281.34 g/mol
LogP3.80
Rot. Bonds7

About N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide

N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide (PubChem CID 21338268) has the molecular formula C15H24NO2P and a molecular weight of 281.34 g/mol. Its IUPAC name is N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide.

Molecular Properties

Compound NameN-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide
PubChem CID21338268
Molecular FormulaC15H24NO2P
Molecular Weight281.34 g/mol
Exact Mass281.15
IUPAC NameN-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide
SMILESCCCC(C)CP(C)(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C15H24NO2P/c1-4-8-13(2)11-19(3,18)12-16-15(17)14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,16,17)
InChIKeySSAKYVHTTRORJG-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
N-ethylbenzamide
CID 160772566
N-(4-hydroxy-3-methylbutyl)benzamide
CID 130383332
N-ethylbenzamide;hydrochloride
CID 57444995
4-benzamido-3-methylbutanoic acid
CID 81064617
N-(2-methyl-3-oxoheptan-4-yl)benzamide
CID 174885665
3-[hydroxy(2-methylpentyl)phosphoryl]-2-methylpropanoic acid
CID 54512413
N-(3-phenylbutyl)benzamide
CID 62403316
N-[2-(1-aminopentan-2-ylamino)-2-oxoethyl]benzamide
CID 65191645
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
CID 7783131
N-(2-phenylhexyl)benzamide
CID 59942443

Frequently Asked Questions

What is the IUPAC name of N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide?
The IUPAC name of N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide (CID 21338268) is N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide.
What is the SMILES notation for N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide?
The canonical SMILES for N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide is CCCC(C)CP(C)(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide?
The InChIKey is SSAKYVHTTRORJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24NO2P/c1-4-8-13(2)11-19(3,18)12-16-15(17)14-9-6-5-7-10-14/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,16,17).
What are the key properties of N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide?
N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide has a molecular weight of 281.34 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide is sourced from PubChem (CID 21338268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).