N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide

C17H18N2O3 — CID 58899047

IUPACN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CCC(=O)NO)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-2-7-14(8-3-12)17(21)18-15-9-4-13(5-10-15)6-11-16(20)19-22/h2-5,7-10,22H,6,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyYOPSDRZIVGGCJJ-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.69
Rot. Bonds5

About N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide

N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide (PubChem CID 58899047) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
PubChem CID58899047
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CCC(=O)NO)cc2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-2-7-14(8-3-12)17(21)18-15-9-4-13(5-10-15)6-11-16(20)19-22/h2-5,7-10,22H,6,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyYOPSDRZIVGGCJJ-UHFFFAOYSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
propan-2-yl 4-[3-(4-methylphenyl)propanoylamino]benzoate
CID 19220464
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
4-tert-butyl-N-[4-[3-(methylamino)-3-oxopropyl]phenyl]benzamide
CID 54780731
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
[4-[(4-methylphenyl)carbamoyl]phenyl] 3-(4-methoxyphenyl)propanoate
CID 19221101
4-tert-butyl-N-[3-[3-(4-methylphenyl)propanoylamino]phenyl]benzamide
CID 92681733
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide (CID 58899047) is N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(CCC(=O)NO)cc2)cc1.
What is the InChIKey of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide?
The InChIKey is YOPSDRZIVGGCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-2-7-14(8-3-12)17(21)18-15-9-4-13(5-10-15)6-11-16(20)19-22/h2-5,7-10,22H,6,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide?
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide has a molecular weight of 298.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 58899047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).