N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide

C18H32N2O4 — CID 40600214

IUPACN-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
SMILESO=C(CCCCC(=O)N[C@@H]1CCCC[C@@H]1O)N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C18H32N2O4/c21-15-9-3-1-7-13(15)19-17(23)11-5-6-12-18(24)20-14-8-2-4-10-16(14)22/h13-16,21-22H,1-12H2,(H,19,23)(H,20,24)/t13-,14+,15+,16-
InChIKeySJGRLYPQEVOQDD-SYMSYNOKSA-N
MW340.46 g/mol
LogP1.39
Rot. Bonds7

About N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide

N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide (PubChem CID 40600214) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
PubChem CID40600214
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC NameN-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
SMILESO=C(CCCCC(=O)N[C@@H]1CCCC[C@@H]1O)N[C@H]1CCCC[C@H]1O
InChIInChI=1S/C18H32N2O4/c21-15-9-3-1-7-13(15)19-17(23)11-5-6-12-18(24)20-14-8-2-4-10-16(14)22/h13-16,21-22H,1-12H2,(H,19,23)(H,20,24)/t13-,14+,15+,16-
InChIKeySJGRLYPQEVOQDD-SYMSYNOKSA-N
XLogP1.39
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-(2-hydroxycyclohexyl)pentanamide
CID 79199015
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 107221663
4-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 107216783
methyl 5-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-oxopentanoate
CID 10900833
2-hydroxy-N-[(1R,2R)-2-hydroxycycloheptyl]acetamide
CID 130693023
N-(2-hydroxycyclopentyl)butanamide
CID 72951810
3-(cyclopropylamino)-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 107222070
2-bromo-N-(2-hydroxycyclohexyl)acetamide
CID 63680498
N-[(1S,2S)-2-hydroxycyclopentyl]butanamide;hydrochloride
CID 71419667
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
N-[(1S,2R)-2-methylcyclohexyl]-N'-[(1S,2S)-2-methylcyclohexyl]hexanediamide
CID 124778988
N-[(1S,2S)-2-hydroxycyclopentyl]-4-propan-2-yloxybutanamide
CID 97351386

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide?
The IUPAC name of N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide (CID 40600214) is N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide is O=C(CCCCC(=O)N[C@@H]1CCCC[C@@H]1O)N[C@H]1CCCC[C@H]1O.
What is the InChIKey of N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide?
The InChIKey is SJGRLYPQEVOQDD-SYMSYNOKSA-N. The full InChI is InChI=1S/C18H32N2O4/c21-15-9-3-1-7-13(15)19-17(23)11-5-6-12-18(24)20-14-8-2-4-10-16(14)22/h13-16,21-22H,1-12H2,(H,19,23)(H,20,24)/t13-,14+,15+,16-.
What are the key properties of N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide?
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide has a molecular weight of 340.46 g/mol, XLogP of 1.39, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide is sourced from PubChem (CID 40600214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).