(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide

C25H33NO3 — CID 100528268

IUPAC(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1
InChIInChI=1S/C25H33NO3/c1-15(2)19-10-8-17(4)13-23(19)28-18(5)24(27)26-21-14-25(6,7)29-22-11-9-16(3)12-20(21)22/h8-13,15,18,21H,14H2,1-7H3,(H,26,27)/t18-,21+/m1/s1
InChIKeyXSIFIUPFAGNFNH-NQIIRXRSSA-N
MW395.54 g/mol
LogP5.61
Rot. Bonds5

About (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide

(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide (PubChem CID 100528268) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
PubChem CID100528268
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Name(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
SMILESCc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1
InChIInChI=1S/C25H33NO3/c1-15(2)19-10-8-17(4)13-23(19)28-18(5)24(27)26-21-14-25(6,7)29-22-11-9-16(3)12-20(21)22/h8-13,15,18,21H,14H2,1-7H3,(H,26,27)/t18-,21+/m1/s1
InChIKeyXSIFIUPFAGNFNH-NQIIRXRSSA-N
XLogP5.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
2-(4-methoxyphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132655388
2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656171
(2S)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 100525001
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100761977
4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100716303
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 133251790
(2S)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100575737
2-(4-chlorophenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656172
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-(2-ethylphenoxy)propanamide
CID 132653341
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenoxypropanamide
CID 132651020
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2,5-dimethylphenoxy)propanamide
CID 133202111

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The IUPAC name of (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide (CID 100528268) is (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide.
What is the SMILES notation for (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The canonical SMILES for (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide is Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1.
What is the InChIKey of (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
The InChIKey is XSIFIUPFAGNFNH-NQIIRXRSSA-N. The full InChI is InChI=1S/C25H33NO3/c1-15(2)19-10-8-17(4)13-23(19)28-18(5)24(27)26-21-14-25(6,7)29-22-11-9-16(3)12-20(21)22/h8-13,15,18,21H,14H2,1-7H3,(H,26,27)/t18-,21+/m1/s1.
What are the key properties of (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide?
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide has a molecular weight of 395.54 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide is sourced from PubChem (CID 100528268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).