N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide

C23H23NO3 — CID 134093208

IUPACN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)Nc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C23H23NO3/c1-15(26-20-13-7-9-16-8-4-5-11-18(16)20)22(25)24-19-12-6-10-17-14-23(2,3)27-21(17)19/h4-13,15H,14H2,1-3H3,(H,24,25)
InChIKeyKHBUMCBHYCEHNX-UHFFFAOYSA-N
MW361.44 g/mol
LogP4.96
Rot. Bonds4

About N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide

N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide (PubChem CID 134093208) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide
PubChem CID134093208
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC NameN-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide
SMILESCC(Oc1cccc2ccccc12)C(=O)Nc1cccc2c1OC(C)(C)C2
InChIInChI=1S/C23H23NO3/c1-15(26-20-13-7-9-16-8-4-5-11-18(16)20)22(25)24-19-12-6-10-17-14-23(2,3)27-21(17)19/h4-13,15H,14H2,1-3H3,(H,24,25)
InChIKeyKHBUMCBHYCEHNX-UHFFFAOYSA-N
XLogP4.96
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(4-phenoxyphenyl)propanamide
CID 3318399
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylurea
CID 134105455
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 7855714
(2S)-2-naphthalen-1-yloxy-N-(2-nitrophenyl)propanamide
CID 7851042
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-(hydroxymethyl)-1-benzofuran-2-carboxamide
CID 154868938
N-[2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethyl]-2-(4-methoxyphenoxy)propanamide
CID 55614893
methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate
CID 119049617
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-(2-methylphenyl)acetamide
CID 18074370
1-[4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]but-2-ynyl]-3-(naphthalen-1-ylmethyl)urea
CID 90578666
(2R)-N-(2-methoxy-4-nitrophenyl)-2-naphthalen-1-yloxypropanamide
CID 7851039
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-naphthalen-1-yloxypropanamide
CID 90625958

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide?
The IUPAC name of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide (CID 134093208) is N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide is CC(Oc1cccc2ccccc12)C(=O)Nc1cccc2c1OC(C)(C)C2.
What is the InChIKey of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide?
The InChIKey is KHBUMCBHYCEHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-15(26-20-13-7-9-16-8-4-5-11-18(16)20)22(25)24-19-12-6-10-17-14-23(2,3)27-21(17)19/h4-13,15H,14H2,1-3H3,(H,24,25).
What are the key properties of N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide?
N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide has a molecular weight of 361.44 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 134093208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).