4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide

C24H31NO3 — CID 100716303

IUPAC4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCOc1cc(C)c(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C(C)C
InChIInChI=1S/C24H31NO3/c1-14(2)17-12-18(16(4)11-22(17)27-7)23(26)25-20-13-24(5,6)28-21-9-8-15(3)10-19(20)21/h8-12,14,20H,13H2,1-7H3,(H,25,26)/t20-/m1/s1
InChIKeyHZRHQFYLLCPLIT-HXUWFJFHSA-N
MW381.52 g/mol
LogP5.47
Rot. Bonds4

About 4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide

4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide (PubChem CID 100716303) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
PubChem CID100716303
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCOc1cc(C)c(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C(C)C
InChIInChI=1S/C24H31NO3/c1-14(2)17-12-18(16(4)11-22(17)27-7)23(26)25-20-13-24(5,6)28-21-9-8-15(3)10-19(20)21/h8-12,14,20H,13H2,1-7H3,(H,25,26)/t20-/m1/s1
InChIKeyHZRHQFYLLCPLIT-HXUWFJFHSA-N
XLogP5.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
4-chloro-2-fluoro-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133201576
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100528268
3-methoxy-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132651012
2-(4-methoxyphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132655388
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132653309
2-(3,4-dimethylphenyl)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651818
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
2-(4-chlorophenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)propanamide
CID 132656171
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 43896076
2-(2-methylphenoxy)-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132651952

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
The IUPAC name of 4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide (CID 100716303) is 4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
The canonical SMILES for 4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide is COc1cc(C)c(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
The InChIKey is HZRHQFYLLCPLIT-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H31NO3/c1-14(2)17-12-18(16(4)11-22(17)27-7)23(26)25-20-13-24(5,6)28-21-9-8-15(3)10-19(20)21/h8-12,14,20H,13H2,1-7H3,(H,25,26)/t20-/m1/s1.
What are the key properties of 4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide has a molecular weight of 381.52 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-5-propan-2-yl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide is sourced from PubChem (CID 100716303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).