N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide

C23H23NO2 — CID 91824677

IUPACN,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C23H23NO2/c1-23(2)14-19-13-17(11-12-21(19)26-23)22(25)24(3)15-18-9-6-8-16-7-4-5-10-20(16)18/h4-13H,14-15H2,1-3H3
InChIKeyCVHKPVFESDDBNC-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.83
Rot. Bonds3

About N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide

N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide (PubChem CID 91824677) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide
PubChem CID91824677
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC NameN,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)c1ccc2c(c1)CC(C)(C)O2
InChIInChI=1S/C23H23NO2/c1-23(2)14-19-13-17(11-12-21(19)26-23)22(25)24(3)15-18-9-6-8-16-7-4-5-10-20(16)18/h4-13H,14-15H2,1-3H3
InChIKeyCVHKPVFESDDBNC-UHFFFAOYSA-N
XLogP4.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(naphthalen-1-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 51113425
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2,2,2-trifluoroethanone
CID 81429341
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-(naphthalen-1-ylmethyl)thiophene-2-carboxamide
CID 46082863
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 62325780
N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 43458378
N,N-dimethyl-3-[[methyl(naphthalen-1-ylmethyl)carbamoyl]amino]benzamide
CID 55816812
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 115173236
(2-chloro-3-fluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
CID 81454812
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
3-amino-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 54906216

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide?
The IUPAC name of N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide (CID 91824677) is N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide.
What is the SMILES notation for N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide?
The canonical SMILES for N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide is CN(Cc1cccc2ccccc12)C(=O)c1ccc2c(c1)CC(C)(C)O2.
What is the InChIKey of N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide?
The InChIKey is CVHKPVFESDDBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-23(2)14-19-13-17(11-12-21(19)26-23)22(25)24(3)15-18-9-6-8-16-7-4-5-10-20(16)18/h4-13H,14-15H2,1-3H3.
What are the key properties of N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide?
N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(naphthalen-1-ylmethyl)-3H-1-benzofuran-5-carboxamide is sourced from PubChem (CID 91824677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).