N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

C24H29NO4 — CID 100545801

IUPACN-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc2c1CCCC2
InChIInChI=1S/C24H29NO4/c1-24(2)14-20(19-12-11-17(27-3)13-22(19)29-24)25-23(26)15-28-21-10-6-8-16-7-4-5-9-18(16)21/h6,8,10-13,20H,4-5,7,9,14-15H2,1-3H3,(H,25,26)/t20-/m0/s1
InChIKeyYQQBGQLEKPKYBN-FQEVSTJZSA-N
MW395.50 g/mol
LogP4.37
Rot. Bonds5

About N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide

N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (PubChem CID 100545801) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.

Molecular Properties

Compound NameN-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
PubChem CID100545801
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC NameN-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
SMILESCOc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc2c1CCCC2
InChIInChI=1S/C24H29NO4/c1-24(2)14-20(19-12-11-17(27-3)13-22(19)29-24)25-23(26)15-28-21-10-6-8-16-7-4-5-9-18(16)21/h6,8,10-13,20H,4-5,7,9,14-15H2,1-3H3,(H,25,26)/t20-/m0/s1
InChIKeyYQQBGQLEKPKYBN-FQEVSTJZSA-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)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100670206
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
2-(4-bromophenoxy)-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132666161
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100610173
2-(2-methoxyphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653577
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 133210399
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-4-(4-methoxyphenoxy)butanamide
CID 132661086
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 133166404
2-(2-fluorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]acetamide
CID 100637111
4-methoxy-N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-methylbenzamide
CID 133202467
2-(3,4-dimethylphenoxy)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132653312
3-(2,6-dichlorophenyl)-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]propanamide
CID 100603694

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The IUPAC name of N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide (CID 100545801) is N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide.
What is the SMILES notation for N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The canonical SMILES for N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cccc2c1CCCC2.
What is the InChIKey of N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
The InChIKey is YQQBGQLEKPKYBN-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H29NO4/c1-24(2)14-20(19-12-11-17(27-3)13-22(19)29-24)25-23(26)15-28-21-10-6-8-16-7-4-5-9-18(16)21/h6,8,10-13,20H,4-5,7,9,14-15H2,1-3H3,(H,25,26)/t20-/m0/s1.
What are the key properties of N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide?
N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-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)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide is sourced from PubChem (CID 100545801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).