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

C23H29NO2 — CID 133256865

IUPAC3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
SMILESCc1ccc2c(c1)C(NC(=O)CCc1ccc(C)c(C)c1)CC(C)(C)O2
InChIInChI=1S/C23H29NO2/c1-15-6-10-21-19(12-15)20(14-23(4,5)26-21)24-22(25)11-9-18-8-7-16(2)17(3)13-18/h6-8,10,12-13,20H,9,11,14H2,1-5H3,(H,24,25)
InChIKeyLTTPQEUYQCGTLK-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.96
Rot. Bonds4

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

3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide (PubChem CID 133256865) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
PubChem CID133256865
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
SMILESCc1ccc2c(c1)C(NC(=O)CCc1ccc(C)c(C)c1)CC(C)(C)O2
InChIInChI=1S/C23H29NO2/c1-15-6-10-21-19(12-15)20(14-23(4,5)26-21)24-22(25)11-9-18-8-7-16(2)17(3)13-18/h6-8,10,12-13,20H,9,11,14H2,1-5H3,(H,24,25)
InChIKeyLTTPQEUYQCGTLK-UHFFFAOYSA-N
XLogP4.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651818
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3,4-dimethylphenyl)propanamide
CID 100525677
3-(4-chlorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590438
2-(4-fluorophenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133166469
3-(4-chlorophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100590455
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-3-(3,4-dimethylphenyl)propanamide
CID 133185009
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-fluorophenyl)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100636989
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
1-(3,4-dimethylphenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133155102

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide (CID 133256865) is 3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide is Cc1ccc2c(c1)C(NC(=O)CCc1ccc(C)c(C)c1)CC(C)(C)O2.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
The InChIKey is LTTPQEUYQCGTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-15-6-10-21-19(12-15)20(14-23(4,5)26-21)24-22(25)11-9-18-8-7-16(2)17(3)13-18/h6-8,10,12-13,20H,9,11,14H2,1-5H3,(H,24,25).
What are the key properties of 3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide?
3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide is sourced from PubChem (CID 133256865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).