2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide

C20H30N2O3 — CID 122660194

IUPAC2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide
SMILESO=C(Nc1cc(O)ccc1O)C(NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c23-16-11-12-18(24)17(13-16)22-20(25)19(14-7-3-1-4-8-14)21-15-9-5-2-6-10-15/h11-15,19,21,23-24H,1-10H2,(H,22,25)
InChIKeyUNPNYXYMVMWNQB-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.91
Rot. Bonds5

About 2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide

2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide (PubChem CID 122660194) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide
PubChem CID122660194
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide
SMILESO=C(Nc1cc(O)ccc1O)C(NC1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H30N2O3/c23-16-11-12-18(24)17(13-16)22-20(25)19(14-7-3-1-4-8-14)21-15-9-5-2-6-10-15/h11-15,19,21,23-24H,1-10H2,(H,22,25)
InChIKeyUNPNYXYMVMWNQB-UHFFFAOYSA-N
XLogP3.91
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-(2-acetylphenyl)-2-(cyclooctylamino)propanamide
CID 9444335
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CID 21343966
N-(2-amino-1-cyclohexylethyl)-2,5-dihydroxybenzamide
CID 107725268
N-(1-cyclohexylpropyl)-2,5-dihydroxybenzamide
CID 107722905
2-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]benzene-1,4-diol
CID 81394389
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,4-diol
CID 171267061
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
2-(2-cyclopropylpropanoylamino)-5-hydroxybenzoic acid
CID 83146824
2-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,4-diol;hydrochloride
CID 171261378
2-[1-(cyclooctylamino)ethyl]benzene-1,3-diol
CID 107710365
methyl 3-[[N-cyclohexyl-N'-[2-(4-hydroxyphenyl)ethyl]carbamimidoyl]amino]-4-hydroxybenzoate
CID 134111443

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide?
The IUPAC name of 2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide (CID 122660194) is 2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide?
The canonical SMILES for 2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide is O=C(Nc1cc(O)ccc1O)C(NC1CCCCC1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide?
The InChIKey is UNPNYXYMVMWNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c23-16-11-12-18(24)17(13-16)22-20(25)19(14-7-3-1-4-8-14)21-15-9-5-2-6-10-15/h11-15,19,21,23-24H,1-10H2,(H,22,25).
What are the key properties of 2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide?
2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide has a molecular weight of 346.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(cyclohexylamino)-N-(2,5-dihydroxyphenyl)acetamide is sourced from PubChem (CID 122660194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).