[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid

C17H20NO4P — CID 59956200

IUPAC[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid
SMILESCC(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C17H20NO4P/c1-12(2)17(23(20,21)22)18-16(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,17H,1-2H3,(H,18,19)(H2,20,21,22)/t17-/m1/s1
InChIKeyZDSALOGRXYSIMR-QGZVFWFLSA-N
MW333.32 g/mol
LogP3.24
Rot. Bonds5

About [(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid

[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid (PubChem CID 59956200) has the molecular formula C17H20NO4P and a molecular weight of 333.32 g/mol. Its IUPAC name is [(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid
PubChem CID59956200
Molecular FormulaC17H20NO4P
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid
SMILESCC(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C17H20NO4P/c1-12(2)17(23(20,21)22)18-16(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,17H,1-2H3,(H,18,19)(H2,20,21,22)/t17-/m1/s1
InChIKeyZDSALOGRXYSIMR-QGZVFWFLSA-N
XLogP3.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
4-phenyl-N-[2-[(4-phenylbenzoyl)amino]propyl]benzamide
CID 3732499
4-methyl-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 17380410
N-[4,4-difluoro-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-phenylbenzamide
CID 145391421
[2-methyl-1-(phenylmethoxycarbonylamino)propyl]phosphonic acid
CID 12524618
4-bromo-N-[1-(4-phenylphenyl)ethyl]benzamide
CID 4267711
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
methyl (2S,3R)-3-azido-2-[(4-phenylbenzoyl)amino]butanoate
CID 71163007
N-(2-methylpropyl)-4-(4-phenylphenyl)benzamide
CID 145125410
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
4-phenyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217691
N-(2-hydroxypropyl)-4-phenylbenzamide
CID 43391038

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid?
The IUPAC name of [(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid (CID 59956200) is [(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid.
What is the SMILES notation for [(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid?
The canonical SMILES for [(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid is CC(C)[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)P(=O)(O)O.
What is the InChIKey of [(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid?
The InChIKey is ZDSALOGRXYSIMR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20NO4P/c1-12(2)17(23(20,21)22)18-16(19)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12,17H,1-2H3,(H,18,19)(H2,20,21,22)/t17-/m1/s1.
What are the key properties of [(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid?
[(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid has a molecular weight of 333.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methyl-1-[(4-phenylbenzoyl)amino]propyl]phosphonic acid is sourced from PubChem (CID 59956200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).