N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide

C28H42N4O3 — CID 24854364

IUPACN'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide
SMILESO=C(CCCCCCC(=O)NCCCNCCCCNCc1ccccc1-c1ccccc1)NO
InChIInChI=1S/C28H42N4O3/c33-27(17-6-1-2-7-18-28(34)32-35)31-22-12-21-29-19-10-11-20-30-23-25-15-8-9-16-26(25)24-13-4-3-5-14-24/h3-5,8-9,13-16,29-30,35H,1-2,6-7,10-12,17-23H2,(H,31,33)(H,32,34)
InChIKeyDBHQTFKGJUWNTQ-UHFFFAOYSA-N
MW482.67 g/mol
LogP4.17
Rot. Bonds19

About N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide

N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide (PubChem CID 24854364) has the molecular formula C28H42N4O3 and a molecular weight of 482.67 g/mol. Its IUPAC name is N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide
PubChem CID24854364
Molecular FormulaC28H42N4O3
Molecular Weight482.67 g/mol
Exact Mass482.33
IUPAC NameN'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide
SMILESO=C(CCCCCCC(=O)NCCCNCCCCNCc1ccccc1-c1ccccc1)NO
InChIInChI=1S/C28H42N4O3/c33-27(17-6-1-2-7-18-28(34)32-35)31-22-12-21-29-19-10-11-20-30-23-25-15-8-9-16-26(25)24-13-4-3-5-14-24/h3-5,8-9,13-16,29-30,35H,1-2,6-7,10-12,17-23H2,(H,31,33)(H,32,34)
InChIKeyDBHQTFKGJUWNTQ-UHFFFAOYSA-N
XLogP4.17
TPSA102.49 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.67
LogP ≤ 54.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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

methane;N'-[(2-phenylphenyl)methyl]-N-[3-[(2-phenylphenyl)methylamino]propyl]butane-1,4-diamine;trihydrobromide
CID 157433735
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
N-[3-[4-[(4-tert-butylphenyl)methylamino]butylamino]propyl]-N'-hydroxynonanediamide;dihydrobromide
CID 24854578
7-[[2,6-dimethoxy-4-[(2-methyl-3-phenylphenyl)methoxy]phenyl]methylamino]-N-hydroxyheptanamide
CID 163322236
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
N-[4-[[4-(dimethylamino)phenyl]methylamino]butyl]-N'-hydroxyhexanediamide
CID 11562024
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
N-hydroxy-7-[[2-oxo-2-(N-phenylanilino)ethyl]amino]heptanamide
CID 87607190
N-[6-(5-hydroxypentylamino)-6-oxohexyl]benzamide
CID 110839273
(2-phenylphenyl)methylurea
CID 67020414
N-[6-(hydroxyamino)-6-oxohexyl]octanamide
CID 155292893
5-[(2-formylphenyl)methylamino]pentanoic acid;hydrochloride
CID 71418371

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide?
The IUPAC name of N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide (CID 24854364) is N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide.
What is the SMILES notation for N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide?
The canonical SMILES for N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide is O=C(CCCCCCC(=O)NCCCNCCCCNCc1ccccc1-c1ccccc1)NO.
What is the InChIKey of N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide?
The InChIKey is DBHQTFKGJUWNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O3/c33-27(17-6-1-2-7-18-28(34)32-35)31-22-12-21-29-19-10-11-20-30-23-25-15-8-9-16-26(25)24-13-4-3-5-14-24/h3-5,8-9,13-16,29-30,35H,1-2,6-7,10-12,17-23H2,(H,31,33)(H,32,34).
What are the key properties of N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide?
N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide has a molecular weight of 482.67 g/mol, XLogP of 4.17, 19 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-[3-[4-[(2-phenylphenyl)methylamino]butylamino]propyl]octanediamide is sourced from PubChem (CID 24854364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).