4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide

C18H22NO3P — CID 138023195

IUPAC4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@@H](O)CNC(=O)c2ccc(P(C)(C)=O)cc2)cc1
InChIInChI=1S/C18H22NO3P/c1-13-4-6-14(7-5-13)17(20)12-19-18(21)15-8-10-16(11-9-15)23(2,3)22/h4-11,17,20H,12H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyGXGALKBRNKJXGH-KRWDZBQOSA-N
MW331.35 g/mol
LogP2.71
Rot. Bonds5

About 4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide

4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide (PubChem CID 138023195) has the molecular formula C18H22NO3P and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
PubChem CID138023195
Molecular FormulaC18H22NO3P
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
SMILESCc1ccc([C@@H](O)CNC(=O)c2ccc(P(C)(C)=O)cc2)cc1
InChIInChI=1S/C18H22NO3P/c1-13-4-6-14(7-5-13)17(20)12-19-18(21)15-8-10-16(11-9-15)23(2,3)22/h4-11,17,20H,12H2,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyGXGALKBRNKJXGH-KRWDZBQOSA-N
XLogP2.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
CID 86981673
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
2-N,5-N-bis[2-hydroxy-2-(4-methylphenyl)ethyl]thiophene-2,5-dicarboxamide
CID 112827264
4-(cyclopropylcarbamoylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 52506460
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3-cyano-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941970
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-[(dimethylamino)methyl]benzamide
CID 110885502
(2R)-2-amino-N-[2-hydroxy-2-(4-methylphenyl)ethyl]propanamide
CID 119293211
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-methoxy-3-nitrobenzamide
CID 71942061

Frequently Asked Questions

What is the IUPAC name of 4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The IUPAC name of 4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide (CID 138023195) is 4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The canonical SMILES for 4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide is Cc1ccc([C@@H](O)CNC(=O)c2ccc(P(C)(C)=O)cc2)cc1.
What is the InChIKey of 4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
The InChIKey is GXGALKBRNKJXGH-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22NO3P/c1-13-4-6-14(7-5-13)17(20)12-19-18(21)15-8-10-16(11-9-15)23(2,3)22/h4-11,17,20H,12H2,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of 4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide?
4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide has a molecular weight of 331.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 138023195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).