N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide

C27H29NO2 — CID 10548955

IUPACN-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide
SMILESCOc1ccc([C@H]2CCCC[C@@H]2NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H29NO2/c1-30-23-18-16-20(17-19-23)24-14-8-9-15-25(24)28-27(29)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,16-19,24-26H,8-9,14-15H2,1H3,(H,28,29)/t24-,25+/m1/s1
InChIKeyUZGKFMZOPHQCJZ-RPBOFIJWSA-N
MW399.53 g/mol
LogP5.67
Rot. Bonds6

About N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide

N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide (PubChem CID 10548955) has the molecular formula C27H29NO2 and a molecular weight of 399.53 g/mol. Its IUPAC name is N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide
PubChem CID10548955
Molecular FormulaC27H29NO2
Molecular Weight399.53 g/mol
Exact Mass399.22
IUPAC NameN-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide
SMILESCOc1ccc([C@H]2CCCC[C@@H]2NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H29NO2/c1-30-23-18-16-20(17-19-23)24-14-8-9-15-25(24)28-27(29)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,16-19,24-26H,8-9,14-15H2,1H3,(H,28,29)/t24-,25+/m1/s1
InChIKeyUZGKFMZOPHQCJZ-RPBOFIJWSA-N
XLogP5.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide?
The IUPAC name of N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide (CID 10548955) is N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide is COc1ccc([C@H]2CCCC[C@@H]2NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide?
The InChIKey is UZGKFMZOPHQCJZ-RPBOFIJWSA-N. The full InChI is InChI=1S/C27H29NO2/c1-30-23-18-16-20(17-19-23)24-14-8-9-15-25(24)28-27(29)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,16-19,24-26H,8-9,14-15H2,1H3,(H,28,29)/t24-,25+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide?
N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide has a molecular weight of 399.53 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(4-methoxyphenyl)cyclohexyl]-2,2-diphenylacetamide is sourced from PubChem (CID 10548955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).