2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide

C20H29NO3 — CID 22733388

IUPAC2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide
SMILESO=C(Nc1ccc(O)cc1O)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H29NO3/c22-16-11-12-17(18(23)13-16)21-20(24)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-15,19,22-23H,1-10H2,(H,21,24)
InChIKeyIIOJMWCVTGERCF-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.81
Rot. Bonds4

About 2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide

2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide (PubChem CID 22733388) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide
PubChem CID22733388
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide
SMILESO=C(Nc1ccc(O)cc1O)C(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H29NO3/c22-16-11-12-17(18(23)13-16)21-20(24)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-15,19,22-23H,1-10H2,(H,21,24)
InChIKeyIIOJMWCVTGERCF-UHFFFAOYSA-N
XLogP4.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide?
The IUPAC name of 2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide (CID 22733388) is 2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide?
The canonical SMILES for 2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide is O=C(Nc1ccc(O)cc1O)C(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide?
The InChIKey is IIOJMWCVTGERCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO3/c22-16-11-12-17(18(23)13-16)21-20(24)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h11-15,19,22-23H,1-10H2,(H,21,24).
What are the key properties of 2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide?
2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide has a molecular weight of 331.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-N-(2,4-dihydroxyphenyl)acetamide is sourced from PubChem (CID 22733388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).