N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide

C18H20N2O4 — CID 71601395

IUPACN-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide
SMILESCc1ccc(OCC(=O)NC(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C18H20N2O4/c1-13-7-9-15(10-8-13)24-12-17(21)19-16(18(22)20-23)11-14-5-3-2-4-6-14/h2-10,16,23H,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyIPMDBSXRNDMRFJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.61
Rot. Bonds7

About N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide

N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide (PubChem CID 71601395) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide
PubChem CID71601395
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide
SMILESCc1ccc(OCC(=O)NC(Cc2ccccc2)C(=O)NO)cc1
InChIInChI=1S/C18H20N2O4/c1-13-7-9-15(10-8-13)24-12-17(21)19-16(18(22)20-23)11-14-5-3-2-4-6-14/h2-10,16,23H,11-12H2,1H3,(H,19,21)(H,20,22)
InChIKeyIPMDBSXRNDMRFJ-UHFFFAOYSA-N
XLogP1.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
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'}

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Related Compounds

N-[(2S)-1-(hydroxyamino)-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]-4-methylbenzamide
CID 71452975
(2R)-2-[(2-phenoxyacetyl)amino]-3-phenylpropanoic acid
CID 699216
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[(2-phenoxyacetyl)amino]-3-phenylpropanamide
CID 42757673
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
2-(4-acetylphenoxy)-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7763916
N-[(2R)-3-oxo-1-phenylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950524
4-[[2-(4-methylphenoxy)acetyl]amino]-5-phenylpentanoic acid
CID 120546662
ethyl 2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]-3-phenylpropanoate
CID 48680471
2-(4-fluorophenoxy)-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7818065
2-[[2-(4-acetyloxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 23218299
2-[[2-(3-methylphenoxy)acetyl]amino]-3-phenylpropanoate
CID 5044252
N'-[2-(4-methylphenoxy)acetyl]-2-phenylacetohydrazide
CID 968398

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide?
The IUPAC name of N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide (CID 71601395) is N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide.
What is the SMILES notation for N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide?
The canonical SMILES for N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide is Cc1ccc(OCC(=O)NC(Cc2ccccc2)C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide?
The InChIKey is IPMDBSXRNDMRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-13-7-9-15(10-8-13)24-12-17(21)19-16(18(22)20-23)11-14-5-3-2-4-6-14/h2-10,16,23H,11-12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide?
N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide has a molecular weight of 328.37 g/mol, XLogP of 1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[2-(4-methylphenoxy)acetyl]amino]-3-phenylpropanamide is sourced from PubChem (CID 71601395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).