2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one

C25H25NO2 — CID 3965058

IUPAC2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
SMILESCC(C)(C)C(=O)c1cn(CCOc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C25H25NO2/c1-25(2,3)24(27)21-17-26(22-13-7-6-12-20(21)22)15-16-28-23-14-8-10-18-9-4-5-11-19(18)23/h4-14,17H,15-16H2,1-3H3
InChIKeyPHAIFPQKQSLAHW-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.10
Rot. Bonds5

About 2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one

2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one (PubChem CID 3965058) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
PubChem CID3965058
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one
SMILESCC(C)(C)C(=O)c1cn(CCOc2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C25H25NO2/c1-25(2,3)24(27)21-17-26(22-13-7-6-12-20(21)22)15-16-28-23-14-8-10-18-9-4-5-11-19(18)23/h4-14,17H,15-16H2,1-3H3
InChIKeyPHAIFPQKQSLAHW-UHFFFAOYSA-N
XLogP6.10
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-1-[1-[3-(2-methylphenoxy)propyl]indol-3-yl]propan-1-one
CID 4320218
methyl 2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetate
CID 2973654
1-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]propan-1-one
CID 955241
2,2,2-trifluoro-1-[1-[2-(3-methoxyphenoxy)ethyl]indol-3-yl]ethanone
CID 3393871
1-[2-methyl-1-(2-naphthalen-1-yloxyethyl)pyrrol-3-yl]ethanone
CID 84616702
2-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-2-oxoacetamide
CID 3161660
1-[1-[(2-fluorophenyl)methyl]indol-3-yl]-2,2-dimethylpropan-1-one
CID 4655393
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
2,2-dimethyl-N-[2-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 6490606
[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]-(2-fluorophenyl)methanone
CID 4269954
3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide
CID 146154131
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one (CID 3965058) is 2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one is CC(C)(C)C(=O)c1cn(CCOc2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one?
The InChIKey is PHAIFPQKQSLAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-25(2,3)24(27)21-17-26(22-13-7-6-12-20(21)22)15-16-28-23-14-8-10-18-9-4-5-11-19(18)23/h4-14,17H,15-16H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one?
2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one has a molecular weight of 371.48 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[1-(2-naphthalen-1-yloxyethyl)indol-3-yl]propan-1-one is sourced from PubChem (CID 3965058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).