N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide

C21H27N3O3 — CID 87607190

IUPACN-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide
SMILESO=C(CCCCCCNCC(=O)N(c1ccccc1)c1ccccc1)NO
InChIInChI=1S/C21H27N3O3/c25-20(23-27)15-9-1-2-10-16-22-17-21(26)24(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,22,27H,1-2,9-10,15-17H2,(H,23,25)
InChIKeyRZJAFHSKBJCOSF-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.40
Rot. Bonds11

About N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide

N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide (PubChem CID 87607190) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide.

Molecular Properties

Compound NameN-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide
PubChem CID87607190
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC NameN-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide
SMILESO=C(CCCCCCNCC(=O)N(c1ccccc1)c1ccccc1)NO
InChIInChI=1S/C21H27N3O3/c25-20(23-27)15-9-1-2-10-16-22-17-21(26)24(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,22,27H,1-2,9-10,15-17H2,(H,23,25)
InChIKeyRZJAFHSKBJCOSF-UHFFFAOYSA-N
XLogP3.40
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.40
H-Bond Donors ≤ 53
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

1-N',1-N',10-N',10-N'-tetraphenyldecanedihydrazide
CID 175049225
2-(benzylamino)-N,N-diphenylacetamide;hydrochloride
CID 68967523
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
6-(benzenesulfonamido)-N-hydroxyhexanamide
CID 11601667
N-hydroxy-8-[methyl(phenyl)sulfamoyl]octanamide
CID 10131480
N-hydroxy-7-(5-phenylpenta-2,4-dienoylamino)heptanamide
CID 85068732
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
N',N'-diphenyldodecanediamide
CID 70400318
2-[(2-hydroxy-2-phenylethyl)amino]-N,N-diphenylacetamide
CID 140529749
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
N-hydroxy-5-[[(2E,4E)-5-phenylpenta-2,4-dienoyl]amino]pentanamide
CID 57495401

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide?
The IUPAC name of N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide (CID 87607190) is N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide.
What is the SMILES notation for N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide?
The canonical SMILES for N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide is O=C(CCCCCCNCC(=O)N(c1ccccc1)c1ccccc1)NO.
What is the InChIKey of N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide?
The InChIKey is RZJAFHSKBJCOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-20(23-27)15-9-1-2-10-16-22-17-21(26)24(18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,22,27H,1-2,9-10,15-17H2,(H,23,25).
What are the key properties of N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide?
N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide has a molecular weight of 369.46 g/mol, XLogP of 3.40, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide is sourced from PubChem (CID 87607190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).