N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid

C29H38NO7P — CID 159468438

IUPACN-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(CCC(=O)NO)cc1.Cc1ccc(CCC(=O)O)cc1.Cc1ccc(CCP(=O)(O)O)cc1
InChIInChI=1S/C10H13NO2.C10H12O2.C9H13O3P/c1-8-2-4-9(5-3-8)6-7-10(12)11-13;1-8-2-4-9(5-3-8)6-7-10(11)12;1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5,13H,6-7H2,1H3,(H,11,12);2-5H,6-7H2,1H3,(H,11,12);2-5H,6-7H2,1H3,(H2,10,11,12)
InChIKeyLVMIXIYCIIIEEF-UHFFFAOYSA-N
MW543.60 g/mol
LogP5.16
Rot. Bonds9

About N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid

N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid (PubChem CID 159468438) has the molecular formula C29H38NO7P and a molecular weight of 543.60 g/mol. Its IUPAC name is N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound NameN-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid
PubChem CID159468438
Molecular FormulaC29H38NO7P
Molecular Weight543.60 g/mol
Exact Mass543.24
IUPAC NameN-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(CCC(=O)NO)cc1.Cc1ccc(CCC(=O)O)cc1.Cc1ccc(CCP(=O)(O)O)cc1
InChIInChI=1S/C10H13NO2.C10H12O2.C9H13O3P/c1-8-2-4-9(5-3-8)6-7-10(12)11-13;1-8-2-4-9(5-3-8)6-7-10(11)12;1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5,13H,6-7H2,1H3,(H,11,12);2-5H,6-7H2,1H3,(H,11,12);2-5H,6-7H2,1H3,(H2,10,11,12)
InChIKeyLVMIXIYCIIIEEF-UHFFFAOYSA-N
XLogP5.16
TPSA144.16 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.60
LogP ≤ 55.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 58899047
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
3-[4-(methylaminomethyl)phenyl]propanoic acid
CID 138583919
N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
N'-hydroxy-N-[2-(4-methylphenyl)ethyl]butanediamide
CID 162387640
7-[3-(4-methylphenyl)propanoylamino]heptanoic acid
CID 43359020
2-[carboxymethyl-[3-(4-methylphenyl)propanoyl]amino]acetic acid
CID 63651230
(4S)-8-amino-4-[3-(4-methylphenyl)propanoylamino]-5,8-dioxooctanoic acid
CID 162172413
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid?
The IUPAC name of N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid (CID 159468438) is N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid?
The canonical SMILES for N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid is Cc1ccc(CCC(=O)NO)cc1.Cc1ccc(CCC(=O)O)cc1.Cc1ccc(CCP(=O)(O)O)cc1.
What is the InChIKey of N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid?
The InChIKey is LVMIXIYCIIIEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C10H12O2.C9H13O3P/c1-8-2-4-9(5-3-8)6-7-10(12)11-13;1-8-2-4-9(5-3-8)6-7-10(11)12;1-8-2-4-9(5-3-8)6-7-13(10,11)12/h2-5,13H,6-7H2,1H3,(H,11,12);2-5H,6-7H2,1H3,(H,11,12);2-5H,6-7H2,1H3,(H2,10,11,12).
What are the key properties of N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid?
N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid has a molecular weight of 543.60 g/mol, XLogP of 5.16, 9 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(4-methylphenyl)propanamide;2-(4-methylphenyl)ethylphosphonic acid;3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 159468438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).