2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide

C21H31N3O4 — CID 23557292

IUPAC2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide
SMILESO=C(CCCCCC(NC(=O)C1CCCCC1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C21H31N3O4/c25-19(24-28)15-9-3-8-14-18(21(27)22-17-12-6-2-7-13-17)23-20(26)16-10-4-1-5-11-16/h2,6-7,12-13,16,18,28H,1,3-5,8-11,14-15H2,(H,22,27)(H,23,26)(H,24,25)
InChIKeySOHCAGOJUINGTO-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.15
Rot. Bonds10

About 2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide

2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide (PubChem CID 23557292) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide.

Molecular Properties

Compound Name2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide
PubChem CID23557292
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC Name2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide
SMILESO=C(CCCCCC(NC(=O)C1CCCCC1)C(=O)Nc1ccccc1)NO
InChIInChI=1S/C21H31N3O4/c25-19(24-28)15-9-3-8-14-18(21(27)22-17-12-6-2-7-13-17)23-20(26)16-10-4-1-5-11-16/h2,6-7,12-13,16,18,28H,1,3-5,8-11,14-15H2,(H,22,27)(H,23,26)(H,24,25)
InChIKeySOHCAGOJUINGTO-UHFFFAOYSA-N
XLogP3.15
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.15
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)-N'-hydroxy-2-[[(2S)-6-oxopiperidine-2-carbonyl]amino]-N-phenyloctanediamide
CID 72946640
(2S)-2-benzamido-N'-hydroxy-N-phenylheptanediamide
CID 131854526
(2S)-2-[(4-tert-butylphenyl)carbamoylamino]-N'-hydroxy-N-phenyloctanediamide
CID 11676844
N'-hydroxy-N-phenyl-2-(thiophene-2-carbonylamino)octanediamide
CID 23557354
2-amino-N'-hydroxy-N-phenyloctanediamide
CID 89108892
N'-hydroxy-2-methoxy-N-phenyloctanediamide
CID 25065930
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
(2S)-2-(2,3-dihydrothiophen-2-ylsulfonylamino)-N'-hydroxy-N-phenyloctanediamide
CID 89190410
2-benzamido-N'-nitroso-N-phenyloctanediamide
CID 163993312
benzyl N-[(2S)-8-amino-1-anilino-1,8-dioxooctan-2-yl]carbamate
CID 90665505
1-methyl-N-[(2S)-1-(naphthalen-2-ylamino)-1,8-dioxo-8-phenyloctan-2-yl]piperidine-3-carboxamide
CID 69319082
S-[(6S)-7-anilino-6-[[(2R)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]-7-oxoheptyl] ethanethioate
CID 71538209

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide?
The IUPAC name of 2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide (CID 23557292) is 2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide.
What is the SMILES notation for 2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide?
The canonical SMILES for 2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide is O=C(CCCCCC(NC(=O)C1CCCCC1)C(=O)Nc1ccccc1)NO.
What is the InChIKey of 2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide?
The InChIKey is SOHCAGOJUINGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c25-19(24-28)15-9-3-8-14-18(21(27)22-17-12-6-2-7-13-17)23-20(26)16-10-4-1-5-11-16/h2,6-7,12-13,16,18,28H,1,3-5,8-11,14-15H2,(H,22,27)(H,23,26)(H,24,25).
What are the key properties of 2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide?
2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide has a molecular weight of 389.50 g/mol, XLogP of 3.15, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexanecarbonylamino)-N'-hydroxy-N-phenyloctanediamide is sourced from PubChem (CID 23557292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).