5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide

C26H29NO4 — CID 66646326

IUPAC5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide
SMILESCOCOc1ccc(Cc2c(C)cc(O)cc2C)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C26H29NO4/c1-18-13-22(28)14-19(2)23(18)15-21-9-10-25(31-17-30-3)24(16-21)26(29)27-12-11-20-7-5-4-6-8-20/h4-10,13-14,16,28H,11-12,15,17H2,1-3H3,(H,27,29)
InChIKeyRVFAYEWPXKKLAS-UHFFFAOYSA-N
MW419.52 g/mol
LogP4.56
Rot. Bonds9

About 5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide

5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide (PubChem CID 66646326) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is 5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide
PubChem CID66646326
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC Name5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide
SMILESCOCOc1ccc(Cc2c(C)cc(O)cc2C)cc1C(=O)NCCc1ccccc1
InChIInChI=1S/C26H29NO4/c1-18-13-22(28)14-19(2)23(18)15-21-9-10-25(31-17-30-3)24(16-21)26(29)27-12-11-20-7-5-4-6-8-20/h4-10,13-14,16,28H,11-12,15,17H2,1-3H3,(H,27,29)
InChIKeyRVFAYEWPXKKLAS-UHFFFAOYSA-N
XLogP4.56
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[4-(methoxymethoxy)-3-(2-phenylethylcarbamoyl)phenyl]methyl]-3,5-dimethylbenzoate
CID 68957665
5-bromo-N-(2-methoxyethyl)-2-(2-phenylethoxy)benzamide
CID 17046177
2,4,5-trimethoxy-N-(2-phenylethyl)benzamide
CID 836555
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208
5-bromo-N-[2-(2-methoxyethylcarbamoyl)phenyl]-2-(2-phenylethoxy)benzamide
CID 17150403
2-butoxy-5-chloro-N-(2-phenylethyl)benzamide
CID 123526498
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
2-(methoxymethoxy)-N-phenyl-5-[tri(propan-2-yl)silyloxymethyl]benzamide
CID 12024008
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-N-(2-phenylethyl)benzamide
CID 4929756
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
2,3,4-trimethyl-N-(2-phenylethyl)benzamide
CID 84533517
2,4-dihydroxy-N-(2-phenylethyl)benzamide
CID 103600168

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide?
The IUPAC name of 5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide (CID 66646326) is 5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide is COCOc1ccc(Cc2c(C)cc(O)cc2C)cc1C(=O)NCCc1ccccc1.
What is the InChIKey of 5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide?
The InChIKey is RVFAYEWPXKKLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-18-13-22(28)14-19(2)23(18)15-21-9-10-25(31-17-30-3)24(16-21)26(29)27-12-11-20-7-5-4-6-8-20/h4-10,13-14,16,28H,11-12,15,17H2,1-3H3,(H,27,29).
What are the key properties of 5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide?
5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide has a molecular weight of 419.52 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-2,6-dimethylphenyl)methyl]-2-(methoxymethoxy)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 66646326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).