2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide

C21H25NO3 — CID 99993350

IUPAC2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1C)CC(C)(C)O2
InChIInChI=1S/C21H25NO3/c1-14-9-10-19-16(11-14)17(12-21(3,4)25-19)22-20(23)13-24-18-8-6-5-7-15(18)2/h5-11,17H,12-13H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyCNPMLKRNDBOTFS-QGZVFWFLSA-N
MW339.44 g/mol
LogP4.10
Rot. Bonds4

About 2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide

2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 99993350) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
PubChem CID99993350
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
SMILESCc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1C)CC(C)(C)O2
InChIInChI=1S/C21H25NO3/c1-14-9-10-19-16(11-14)17(12-21(3,4)25-19)22-20(23)13-24-18-8-6-5-7-15(18)2/h5-11,17H,12-13H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyCNPMLKRNDBOTFS-QGZVFWFLSA-N
XLogP4.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651952
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
2-(2-methoxyphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653577
2-(2-fluorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652411
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
2-[3-(trifluoromethyl)phenoxy]-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100758401
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-fluorophenoxy)acetamide
CID 132651349
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133251790
2-(2-fluorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100636989
2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651818
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469
2-(3,4-dimethylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653312

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of 2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide (CID 99993350) is 2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for 2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide is Cc1ccc2c(c1)[C@H](NC(=O)COc1ccccc1C)CC(C)(C)O2.
What is the InChIKey of 2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is CNPMLKRNDBOTFS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14-9-10-19-16(11-14)17(12-21(3,4)25-19)22-20(23)13-24-18-8-6-5-7-15(18)2/h5-11,17H,12-13H2,1-4H3,(H,22,23)/t17-/m1/s1.
What are the key properties of 2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide?
2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 99993350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).