N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide

C17H25NO3 — CID 100670635

IUPACN-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc2c(c1)[C@@H](NC(=O)C(C)(C)C)CC(C)(C)O2
InChIInChI=1S/C17H25NO3/c1-16(2,3)15(19)18-13-10-17(4,5)21-14-8-7-11(20-6)9-12(13)14/h7-9,13H,10H2,1-6H3,(H,18,19)/t13-/m0/s1
InChIKeyFAEUUOIGEQPRDG-ZDUSSCGKSA-N
MW291.39 g/mol
LogP3.46
Rot. Bonds2

About N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide

N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide (PubChem CID 100670635) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
PubChem CID100670635
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc2c(c1)[C@@H](NC(=O)C(C)(C)C)CC(C)(C)O2
InChIInChI=1S/C17H25NO3/c1-16(2,3)15(19)18-13-10-17(4,5)21-14-8-7-11(20-6)9-12(13)14/h7-9,13H,10H2,1-6H3,(H,18,19)/t13-/m0/s1
InChIKeyFAEUUOIGEQPRDG-ZDUSSCGKSA-N
XLogP3.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2,2-dimethylpropanamide
CID 56922214
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746490
1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746497
3-chloro-4-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133209935
3-fluoro-4-methoxy-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100614396
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methylsulfanylbenzamide
CID 132653943
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-phenylsulfanylacetamide
CID 132653944
2-(3-bromophenyl)-N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100701277
5-ethyl-N-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1,3-oxazole-4-carboxamide
CID 125167898
N-[5-[[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]sulfamoyl]-1,3,4-thiadiazol-2-yl]-2,2-dimethylpropanamide
CID 100754686

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide (CID 100670635) is N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide is COc1ccc2c(c1)[C@@H](NC(=O)C(C)(C)C)CC(C)(C)O2.
What is the InChIKey of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide?
The InChIKey is FAEUUOIGEQPRDG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25NO3/c1-16(2,3)15(19)18-13-10-17(4,5)21-14-8-7-11(20-6)9-12(13)14/h7-9,13H,10H2,1-6H3,(H,18,19)/t13-/m0/s1.
What are the key properties of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide?
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 100670635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).