N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide

C25H27NO3 — CID 133186763

IUPACN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide
SMILESCCC1(CC)CC(NC(=O)COc2ccc3ccccc3c2)c2ccccc2O1
InChIInChI=1S/C25H27NO3/c1-3-25(4-2)16-22(21-11-7-8-12-23(21)29-25)26-24(27)17-28-20-14-13-18-9-5-6-10-19(18)15-20/h5-15,22H,3-4,16-17H2,1-2H3,(H,26,27)
InChIKeyQNFOQJZTWVQBLA-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.42
Rot. Bonds6

About N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 133186763) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID133186763
Molecular FormulaC25H27NO3
Molecular Weight389.50 g/mol
Exact Mass389.20
IUPAC NameN-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide
SMILESCCC1(CC)CC(NC(=O)COc2ccc3ccccc3c2)c2ccccc2O1
InChIInChI=1S/C25H27NO3/c1-3-25(4-2)16-22(21-11-7-8-12-23(21)29-25)26-24(27)17-28-20-14-13-18-9-5-6-10-19(18)15-20/h5-15,22H,3-4,16-17H2,1-2H3,(H,26,27)
InChIKeyQNFOQJZTWVQBLA-UHFFFAOYSA-N
XLogP5.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 133186794
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)propanamide
CID 133160348
N-[(4R)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(4-methylphenoxy)butanamide
CID 100747953
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 133160023
2-(4-bromophenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132659156
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 133161552
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-4-(2-phenylsulfanylethoxy)benzamide
CID 100622134
N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]cyclopropanecarboxamide
CID 100609810
2-(4-tert-butylphenoxy)-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)acetamide
CID 132655030
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758263
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-(3,4-dimethylphenoxy)propanamide
CID 100694409
(2R)-N-[(4S)-2,2-diethyl-3,4-dihydrochromen-4-yl]-2-phenoxybutanamide
CID 100708242

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide (CID 133186763) is N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide is CCC1(CC)CC(NC(=O)COc2ccc3ccccc3c2)c2ccccc2O1.
What is the InChIKey of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is QNFOQJZTWVQBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-3-25(4-2)16-22(21-11-7-8-12-23(21)29-25)26-24(27)17-28-20-14-13-18-9-5-6-10-19(18)15-20/h5-15,22H,3-4,16-17H2,1-2H3,(H,26,27).
What are the key properties of N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide?
N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 389.50 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 133186763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).