N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide

C13H19N3O3 — CID 142131236

IUPACN-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide
SMILESCNc1ccc(CC(=O)NCCCC(=O)NO)cc1
InChIInChI=1S/C13H19N3O3/c1-14-11-6-4-10(5-7-11)9-13(18)15-8-2-3-12(17)16-19/h4-7,14,19H,2-3,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyMRPPZVYUPIUJTE-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.67
Rot. Bonds7

About N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide

N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide (PubChem CID 142131236) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide.

Molecular Properties

Compound NameN-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide
PubChem CID142131236
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide
SMILESCNc1ccc(CC(=O)NCCCC(=O)NO)cc1
InChIInChI=1S/C13H19N3O3/c1-14-11-6-4-10(5-7-11)9-13(18)15-8-2-3-12(17)16-19/h4-7,14,19H,2-3,8-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyMRPPZVYUPIUJTE-UHFFFAOYSA-N
XLogP0.67
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
2-(4-ethylphenyl)-N-[3-(methylamino)propyl]acetamide
CID 119432439
N-[2-(diethylamino)ethyl]-4-[4-(methylamino)phenyl]butanamide
CID 71213941
2-(4-acetamidophenyl)-N-(3-aminopropyl)acetamide
CID 108792677
N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
CID 11562024
methyl 4-[[2-(4-aminophenyl)acetyl]amino]butanoate
CID 61274710
ethane;2-[4-(methylamino)phenyl]acetamide
CID 142212219
2-(4-acetamidophenyl)-N-[3-(dimethylamino)propyl]acetamide
CID 78804891
2-(4-acetamidophenyl)-N-(6-aminohexyl)acetamide
CID 108792623
5-[[2-(4-ethylphenyl)acetyl]amino]pentanoic acid
CID 119235222
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide?
The IUPAC name of N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide (CID 142131236) is N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide.
What is the SMILES notation for N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide?
The canonical SMILES for N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide is CNc1ccc(CC(=O)NCCCC(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide?
The InChIKey is MRPPZVYUPIUJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14-11-6-4-10(5-7-11)9-13(18)15-8-2-3-12(17)16-19/h4-7,14,19H,2-3,8-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide?
N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide has a molecular weight of 265.31 g/mol, XLogP of 0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[2-[4-(methylamino)phenyl]acetyl]amino]butanamide is sourced from PubChem (CID 142131236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).