2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide

C22H27NO2 — CID 132651818

IUPAC2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCc1ccc2c(c1)C(NC(=O)Cc1ccc(C)c(C)c1)CC(C)(C)O2
InChIInChI=1S/C22H27NO2/c1-14-6-9-20-18(10-14)19(13-22(4,5)25-20)23-21(24)12-17-8-7-15(2)16(3)11-17/h6-11,19H,12-13H2,1-5H3,(H,23,24)
InChIKeyPTQSRRPIXVPDPL-UHFFFAOYSA-N
MW337.46 g/mol
LogP4.57
Rot. Bonds3

About 2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide

2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 132651818) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
PubChem CID132651818
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCc1ccc2c(c1)C(NC(=O)Cc1ccc(C)c(C)c1)CC(C)(C)O2
InChIInChI=1S/C22H27NO2/c1-14-6-9-20-18(10-14)19(13-22(4,5)25-20)23-21(24)12-17-8-7-15(2)16(3)11-17/h6-11,19H,12-13H2,1-5H3,(H,23,24)
InChIKeyPTQSRRPIXVPDPL-UHFFFAOYSA-N
XLogP4.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133256865
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469
3-(4-chlorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590438
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
CID 100525677
2-(2-fluorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100636989
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 30218964
1-propyl-3-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]urea
CID 100748872
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651952
2-(2-methylphenoxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 99993350
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
1-(3,4-dimethylphenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133155102
2-(3-bromophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701250

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide (CID 132651818) is 2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide is Cc1ccc2c(c1)C(NC(=O)Cc1ccc(C)c(C)c1)CC(C)(C)O2.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The InChIKey is PTQSRRPIXVPDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-14-6-9-20-18(10-14)19(13-22(4,5)25-20)23-21(24)12-17-8-7-15(2)16(3)11-17/h6-11,19H,12-13H2,1-5H3,(H,23,24).
What are the key properties of 2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 337.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 132651818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).