N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

C24H29NO4 — CID 100610173

IUPACN-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESCOc1ccc2c(c1)[C@@H](NC(=O)COc1ccc3c(c1)CCCC3)CC(C)(C)O2
InChIInChI=1S/C24H29NO4/c1-24(2)14-21(20-13-18(27-3)10-11-22(20)29-24)25-23(26)15-28-19-9-8-16-6-4-5-7-17(16)12-19/h8-13,21H,4-7,14-15H2,1-3H3,(H,25,26)/t21-/m0/s1
InChIKeyDJMHESRMWVNGGA-NRFANRHFSA-N
MW395.50 g/mol
LogP4.37
Rot. Bonds5

About N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (PubChem CID 100610173) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.

Molecular Properties

Compound NameN-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
PubChem CID100610173
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC NameN-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESCOc1ccc2c(c1)[C@@H](NC(=O)COc1ccc3c(c1)CCCC3)CC(C)(C)O2
InChIInChI=1S/C24H29NO4/c1-24(2)14-21(20-13-18(27-3)10-11-22(20)29-24)25-23(26)15-28-19-9-8-16-6-4-5-7-17(16)12-19/h8-13,21H,4-7,14-15H2,1-3H3,(H,25,26)/t21-/m0/s1
InChIKeyDJMHESRMWVNGGA-NRFANRHFSA-N
XLogP4.37
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100545801
2-(4-bromophenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132666161
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 133210399
N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(2-oxoazepan-1-yl)propanamide
CID 131904157
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
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
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100761977
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889
2-(4-bromophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132659156

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The IUPAC name of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (CID 100610173) is N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.
What is the SMILES notation for N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The canonical SMILES for N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc3c(c1)CCCC3)CC(C)(C)O2.
What is the InChIKey of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The InChIKey is DJMHESRMWVNGGA-NRFANRHFSA-N. The full InChI is InChI=1S/C24H29NO4/c1-24(2)14-21(20-13-18(27-3)10-11-22(20)29-24)25-23(26)15-28-19-9-8-16-6-4-5-7-17(16)12-19/h8-13,21H,4-7,14-15H2,1-3H3,(H,25,26)/t21-/m0/s1.
What are the key properties of N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide has a molecular weight of 395.50 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is sourced from PubChem (CID 100610173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).