4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide

C34H32N2O5 — CID 19225216

IUPAC4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide
SMILESCC1(O)CC(=O)C(C(=O)Nc2ccccc2)C(c2cccc(OCc3ccccc3)c2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C34H32N2O5/c1-34(40)21-28(37)30(32(38)35-25-15-7-3-8-16-25)29(31(34)33(39)36-26-17-9-4-10-18-26)24-14-11-19-27(20-24)41-22-23-12-5-2-6-13-23/h2-20,29-31,40H,21-22H2,1H3,(H,35,38)(H,36,39)
InChIKeyURDHONZRHGIUHQ-UHFFFAOYSA-N
MW548.64 g/mol
LogP5.58
Rot. Bonds8

About 4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide

4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide (PubChem CID 19225216) has the molecular formula C34H32N2O5 and a molecular weight of 548.64 g/mol. Its IUPAC name is 4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide.

Molecular Properties

Compound Name4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide
PubChem CID19225216
Molecular FormulaC34H32N2O5
Molecular Weight548.64 g/mol
Exact Mass548.23
IUPAC Name4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide
SMILESCC1(O)CC(=O)C(C(=O)Nc2ccccc2)C(c2cccc(OCc3ccccc3)c2)C1C(=O)Nc1ccccc1
InChIInChI=1S/C34H32N2O5/c1-34(40)21-28(37)30(32(38)35-25-15-7-3-8-16-25)29(31(34)33(39)36-26-17-9-4-10-18-26)24-14-11-19-27(20-24)41-22-23-12-5-2-6-13-23/h2-20,29-31,40H,21-22H2,1H3,(H,35,38)(H,36,39)
InChIKeyURDHONZRHGIUHQ-UHFFFAOYSA-N
XLogP5.58
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,3S,4S)-2-(3-ethoxyphenyl)-4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenylcyclohexane-1,3-dicarboxamide
CID 124769199
1-N,3-N-bis(2,4-dimethylphenyl)-4-hydroxy-4-methyl-6-oxo-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide
CID 19224983
4-hydroxy-2-(3-methoxy-4-phenylmethoxyphenyl)-4-methyl-6-oxo-1-N,3-N-diphenylcyclohexane-1,3-dicarboxamide
CID 19225234
4-hydroxy-2-[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]-4-methyl-6-oxo-1-N,3-N-diphenylcyclohexane-1,3-dicarboxamide
CID 19225248
1-N,3-N-bis(2-ethoxyphenyl)-4-hydroxy-4-methyl-2-[3-[(2-methylphenyl)methoxy]phenyl]-6-oxocyclohexane-1,3-dicarboxamide
CID 19233934
4-hydroxy-4-methyl-2-[4-(3-methylbutoxy)phenyl]-6-oxo-1-N,3-N-diphenylcyclohexane-1,3-dicarboxamide
CID 19225203
2-(4-hexoxyphenyl)-4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenylcyclohexane-1,3-dicarboxamide
CID 19225212
2-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenylcyclohexane-1,3-dicarboxamide
CID 19225263
1-N,3-N-bis(2,3-dimethylphenyl)-2-(3-ethoxy-4-phenylmethoxyphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxamide
CID 19233759
(1S,2S,3R,4S)-4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(4-propan-2-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 124891226
dimethyl 4-hydroxy-4-methyl-6-oxo-2-(4-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxylate
CID 3727388
4-hydroxy-2-(2-methoxyphenyl)-4-methyl-6-oxo-1-N,3-N-diphenylcyclohexane-1,3-dicarboxamide
CID 19225163

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide?
The IUPAC name of 4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide (CID 19225216) is 4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide.
What is the SMILES notation for 4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide?
The canonical SMILES for 4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide is CC1(O)CC(=O)C(C(=O)Nc2ccccc2)C(c2cccc(OCc3ccccc3)c2)C1C(=O)Nc1ccccc1.
What is the InChIKey of 4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide?
The InChIKey is URDHONZRHGIUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O5/c1-34(40)21-28(37)30(32(38)35-25-15-7-3-8-16-25)29(31(34)33(39)36-26-17-9-4-10-18-26)24-14-11-19-27(20-24)41-22-23-12-5-2-6-13-23/h2-20,29-31,40H,21-22H2,1H3,(H,35,38)(H,36,39).
What are the key properties of 4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide?
4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide has a molecular weight of 548.64 g/mol, XLogP of 5.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methyl-6-oxo-1-N,3-N-diphenyl-2-(3-phenylmethoxyphenyl)cyclohexane-1,3-dicarboxamide is sourced from PubChem (CID 19225216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).