2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide

C15H21NO3 — CID 71134524

IUPAC2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide
SMILESCNC(=O)C(c1ccc(O)cc1)C1(O)CCCCC1
InChIInChI=1S/C15H21NO3/c1-16-14(18)13(11-5-7-12(17)8-6-11)15(19)9-3-2-4-10-15/h5-8,13,17,19H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyPWFPKXQKCGFIPS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.92
Rot. Bonds3

About 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide

2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide (PubChem CID 71134524) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide
PubChem CID71134524
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide
SMILESCNC(=O)C(c1ccc(O)cc1)C1(O)CCCCC1
InChIInChI=1S/C15H21NO3/c1-16-14(18)13(11-5-7-12(17)8-6-11)15(19)9-3-2-4-10-15/h5-8,13,17,19H,2-4,9-10H2,1H3,(H,16,18)
InChIKeyPWFPKXQKCGFIPS-UHFFFAOYSA-N
XLogP1.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762
4-[1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 67641722
(2S)-2-(4-fluorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 129389781
(2S)-2-(1-hydroxycyclohexyl)-2-(4-trimethylsilylphenyl)acetic acid
CID 125466602
2-amino-2-(4-hydroxyphenyl)-N-methylacetamide;hydrochloride
CID 23346504
4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol
CID 143726784
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;2-hydroxypropanoic acid
CID 25268064
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68605984
[(2R)-2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium chloride
CID 159281287
4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 45038987
2-(1-hydroxycyclohexyl)-2-[4-(2-phenylethyl)phenyl]acetic acid
CID 68855874
but-2-enedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
CID 68608550

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide (CID 71134524) is 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide is CNC(=O)C(c1ccc(O)cc1)C1(O)CCCCC1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide?
The InChIKey is PWFPKXQKCGFIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16-14(18)13(11-5-7-12(17)8-6-11)15(19)9-3-2-4-10-15/h5-8,13,17,19H,2-4,9-10H2,1H3,(H,16,18).
What are the key properties of 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide?
2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 71134524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).