N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide

C17H19N3O3 — CID 23148417

IUPACN-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CC(N)C(=O)NO)cc2)cc1
InChIInChI=1S/C17H19N3O3/c1-11-2-6-13(7-3-11)16(21)19-14-8-4-12(5-9-14)10-15(18)17(22)20-23/h2-9,15,23H,10,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyUSWGEKDSHYMQQI-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.62
Rot. Bonds5

About N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide

N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide (PubChem CID 23148417) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
PubChem CID23148417
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CC(N)C(=O)NO)cc2)cc1
InChIInChI=1S/C17H19N3O3/c1-11-2-6-13(7-3-11)16(21)19-14-8-4-12(5-9-14)10-15(18)17(22)20-23/h2-9,15,23H,10,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyUSWGEKDSHYMQQI-UHFFFAOYSA-N
XLogP1.62
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.62
H-Bond Donors ≤ 54
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'}

Analyze N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide 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-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]-4-methylbenzamide;hydrochloride
CID 154890074
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
(2S)-2-amino-3-[4-[(4-phenylbenzoyl)amino]phenyl]propanoic acid
CID 58987459
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 58899047
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
N-[2-[(2-amino-3-phenylpropanoyl)amino]ethyl]-4-methylbenzamide
CID 119299595
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide (CID 23148417) is N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(CC(N)C(=O)NO)cc2)cc1.
What is the InChIKey of N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide?
The InChIKey is USWGEKDSHYMQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-11-2-6-13(7-3-11)16(21)19-14-8-4-12(5-9-14)10-15(18)17(22)20-23/h2-9,15,23H,10,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide?
N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide has a molecular weight of 313.36 g/mol, XLogP of 1.62, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 23148417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).