N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide

C21H25NO2 — CID 567055

IUPACN-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1(Cc2ccc(O)cc2)CCCCC1
InChIInChI=1S/C21H25NO2/c23-19-11-9-18(10-12-19)16-21(13-5-2-6-14-21)22-20(24)15-17-7-3-1-4-8-17/h1,3-4,7-12,23H,2,5-6,13-16H2,(H,22,24)
InChIKeyJBCVTIHKSROBSC-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.00
Rot. Bonds5

About N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide

N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide (PubChem CID 567055) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide
PubChem CID567055
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1(Cc2ccc(O)cc2)CCCCC1
InChIInChI=1S/C21H25NO2/c23-19-11-9-18(10-12-19)16-21(13-5-2-6-14-21)22-20(24)15-17-7-3-1-4-8-17/h1,3-4,7-12,23H,2,5-6,13-16H2,(H,22,24)
InChIKeyJBCVTIHKSROBSC-UHFFFAOYSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Hydroxyphenyl)acetamide
CID 86986
Phloretamide
CID 16222514
(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione
CID 11267350
Tyrosyl alanyl-glycyl-phenylalaninamide
CID 5490373
(3S,6S)-3-Benzyl-6-(4-Hydroxy-Benzyl)-Piperazine-2,5-Dione
CID 11438306
(5S,8S,10Z,13R)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-benzyl-3,6,14-trioxo-1,4,7-triazacyclotetradec-10-ene-8-carboxamide
CID 16116088
(Phe4)-Dermorphin (1-4) Amide H-Tyr-D-Ala-Phe-Phe-NH2
CID 9937285
N-[2-(4-Hydroxy-phenyl)-1,1-dimethyl-ethyl]-benzamide
CID 765444
(5S,8R,10E,13R)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-benzyl-3,6,14-trioxo-1,4,7-triazacyclotetradec-10-ene-8-carboxamide
CID 16116220
H-Tyr-Ala-Phe-Phe-NH2
CID 16760005
(5S,8S,10E,13R)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-benzyl-3,6,14-trioxo-1,4,7-triazacyclotetradec-10-ene-8-carboxamide
CID 16116089
H-Tyr-Ac6c-Phe-Phe-NH2
CID 44391110

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide?
The IUPAC name of N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide (CID 567055) is N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide.
What is the SMILES notation for N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide?
The canonical SMILES for N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1(Cc2ccc(O)cc2)CCCCC1.
What is the InChIKey of N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide?
The InChIKey is JBCVTIHKSROBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-19-11-9-18(10-12-19)16-21(13-5-2-6-14-21)22-20(24)15-17-7-3-1-4-8-17/h1,3-4,7-12,23H,2,5-6,13-16H2,(H,22,24).
What are the key properties of N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide?
N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide has a molecular weight of 323.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-hydroxyphenyl)methyl]cyclohexyl]-2-phenylacetamide is sourced from PubChem (CID 567055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).