2-amino-N'-hydroxy-N-phenyloctanediamide

C14H21N3O3 — CID 89108892

IUPAC2-amino-N'-hydroxy-N-phenyloctanediamide
SMILESNC(CCCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O3/c15-12(9-5-2-6-10-13(18)17-20)14(19)16-11-7-3-1-4-8-11/h1,3-4,7-8,12,20H,2,5-6,9-10,15H2,(H,16,19)(H,17,18)
InChIKeyBMGPCDYMQLRDEA-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.41
Rot. Bonds8

About 2-amino-N'-hydroxy-N-phenyloctanediamide

2-amino-N'-hydroxy-N-phenyloctanediamide (PubChem CID 89108892) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-amino-N'-hydroxy-N-phenyloctanediamide.

Molecular Properties

Compound Name2-amino-N'-hydroxy-N-phenyloctanediamide
PubChem CID89108892
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-amino-N'-hydroxy-N-phenyloctanediamide
SMILESNC(CCCCCC(=O)NO)C(=O)Nc1ccccc1
InChIInChI=1S/C14H21N3O3/c15-12(9-5-2-6-10-13(18)17-20)14(19)16-11-7-3-1-4-8-11/h1,3-4,7-8,12,20H,2,5-6,9-10,15H2,(H,16,19)(H,17,18)
InChIKeyBMGPCDYMQLRDEA-UHFFFAOYSA-N
XLogP1.41
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.41
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

(2S)-2-amino-N-phenyl-N'-phenylmethoxyoctanediamide
CID 72946637
N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
methyl (2S)-2-amino-8-anilino-8-oxooctanoate
CID 140522096
(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide
CID 131854526
S-[(6S)-6-amino-7-anilino-7-oxoheptyl] ethanethioate
CID 86726299
N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide
CID 23557354
2-(1-aminoethylidenecarbamothioyl)-N'-hydroxy-N-phenyloctanediamide
CID 143658232
N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylnonanediamide
CID 25066354
2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 23557292
(2S)-2-[(4-tert-butylphenyl)carbamoylamino]-N'-hydroxy-N-phenyloctanediamide
CID 11676844
N'-hydroxy-N-phenyloctanediamide;piperazine
CID 24824516
N'-hydroxy-2-[(4-methoxyphenyl)methoxy]-N-phenylheptanediamide
CID 25065926

Frequently Asked Questions

What is the IUPAC name of 2-amino-N'-hydroxy-N-phenyloctanediamide?
The IUPAC name of 2-amino-N'-hydroxy-N-phenyloctanediamide (CID 89108892) is 2-amino-N'-hydroxy-N-phenyloctanediamide.
What is the SMILES notation for 2-amino-N'-hydroxy-N-phenyloctanediamide?
The canonical SMILES for 2-amino-N'-hydroxy-N-phenyloctanediamide is NC(CCCCCC(=O)NO)C(=O)Nc1ccccc1.
What is the InChIKey of 2-amino-N'-hydroxy-N-phenyloctanediamide?
The InChIKey is BMGPCDYMQLRDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-12(9-5-2-6-10-13(18)17-20)14(19)16-11-7-3-1-4-8-11/h1,3-4,7-8,12,20H,2,5-6,9-10,15H2,(H,16,19)(H,17,18).
What are the key properties of 2-amino-N'-hydroxy-N-phenyloctanediamide?
2-amino-N'-hydroxy-N-phenyloctanediamide has a molecular weight of 279.34 g/mol, XLogP of 1.41, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N'-hydroxy-N-phenyloctanediamide is sourced from PubChem (CID 89108892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).