2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide

C24H31NO3 — CID 133251790

IUPAC2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c1
InChIInChI=1S/C24H31NO3/c1-15(2)18-9-7-16(3)11-21(18)27-14-23(26)25-20-13-24(5,6)28-22-12-17(4)8-10-19(20)22/h7-12,15,20H,13-14H2,1-6H3,(H,25,26)
InChIKeyOILYGBLGCACVFA-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.22
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide

2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide (PubChem CID 133251790) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
PubChem CID133251790
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c1
InChIInChI=1S/C24H31NO3/c1-15(2)18-9-7-16(3)11-21(18)27-14-23(26)25-20-13-24(5,6)28-22-12-17(4)8-10-19(20)22/h7-12,15,20H,13-14H2,1-6H3,(H,25,26)
InChIKeyOILYGBLGCACVFA-UHFFFAOYSA-N
XLogP5.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide with MolForge

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Related Compounds

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-(3,4-dimethylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653312
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
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100528268
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
2-(4-chlorophenyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132652521
2-(3-bromophenyl)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701250
2-[3-(trifluoromethyl)phenoxy]-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100758401
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78767495

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The IUPAC name of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide (CID 133251790) is 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NC2CC(C)(C)Oc3cc(C)ccc32)c1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
The InChIKey is OILYGBLGCACVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-15(2)18-9-7-16(3)11-21(18)27-14-23(26)25-20-13-24(5,6)28-22-12-17(4)8-10-19(20)22/h7-12,15,20H,13-14H2,1-6H3,(H,25,26).
What are the key properties of 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide?
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide is sourced from PubChem (CID 133251790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).