benzene;formic acid;N-hydroxy-3-phenylpropanamide

C16H19NO4 — CID 174900807

IUPACbenzene;formic acid;N-hydroxy-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NO.O=CO.c1ccccc1
InChIInChI=1S/C9H11NO2.C6H6.CH2O2/c11-9(10-12)7-6-8-4-2-1-3-5-8;1-2-4-6-5-3-1;2-1-3/h1-5,12H,6-7H2,(H,10,11);1-6H;1H,(H,2,3)
InChIKeyMIQMEGVFXNJSHG-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.51
Rot. Bonds3

About benzene;formic acid;N-hydroxy-3-phenylpropanamide

benzene;formic acid;N-hydroxy-3-phenylpropanamide (PubChem CID 174900807) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is benzene;formic acid;N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Namebenzene;formic acid;N-hydroxy-3-phenylpropanamide
PubChem CID174900807
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namebenzene;formic acid;N-hydroxy-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NO.O=CO.c1ccccc1
InChIInChI=1S/C9H11NO2.C6H6.CH2O2/c11-9(10-12)7-6-8-4-2-1-3-5-8;1-2-4-6-5-3-1;2-1-3/h1-5,12H,6-7H2,(H,10,11);1-6H;1H,(H,2,3)
InChIKeyMIQMEGVFXNJSHG-UHFFFAOYSA-N
XLogP2.51
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-[4-(2-phenylethyl)phenyl]propanamide
CID 22986796
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
4-[benzyl(2-phenylethyl)amino]-N-hydroxybutanamide
CID 155156496
N-(2-oxoethyl)-3-phenylpropanamide;3-phenylpropanoyl chloride
CID 159423361
formic acid;2-phenylethanamine
CID 174535099
N-hydroxy-3-[4-[[N-(2-hydroxyethyl)anilino]methyl]phenyl]propanamide
CID 123262857
ethyl N-(3-phenylpropanoyl)carbamate
CID 141071661
acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide
CID 170949279
3-[3-(hydroxyamino)-3-oxopropyl]benzamide
CID 141465309
N-hydroxy-3-(4-methylsulfanylphenyl)propanamide
CID 59191041

Frequently Asked Questions

What is the IUPAC name of benzene;formic acid;N-hydroxy-3-phenylpropanamide?
The IUPAC name of benzene;formic acid;N-hydroxy-3-phenylpropanamide (CID 174900807) is benzene;formic acid;N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for benzene;formic acid;N-hydroxy-3-phenylpropanamide?
The canonical SMILES for benzene;formic acid;N-hydroxy-3-phenylpropanamide is O=C(CCc1ccccc1)NO.O=CO.c1ccccc1.
What is the InChIKey of benzene;formic acid;N-hydroxy-3-phenylpropanamide?
The InChIKey is MIQMEGVFXNJSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C6H6.CH2O2/c11-9(10-12)7-6-8-4-2-1-3-5-8;1-2-4-6-5-3-1;2-1-3/h1-5,12H,6-7H2,(H,10,11);1-6H;1H,(H,2,3).
What are the key properties of benzene;formic acid;N-hydroxy-3-phenylpropanamide?
benzene;formic acid;N-hydroxy-3-phenylpropanamide has a molecular weight of 289.33 g/mol, XLogP of 2.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;formic acid;N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 174900807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).