2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

C20H19NO2 — CID 596163

IUPAC2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)Nc1cccc3ccccc13)CCCC2
InChIInChI=1S/C20H19NO2/c1-13-19(16-10-4-5-12-18(16)23-13)20(22)21-17-11-6-8-14-7-2-3-9-15(14)17/h2-3,6-9,11H,4-5,10,12H2,1H3,(H,21,22)
InChIKeyUZIQDAOASGOPND-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.87
Rot. Bonds2

About 2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (PubChem CID 596163) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
PubChem CID596163
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)Nc1cccc3ccccc13)CCCC2
InChIInChI=1S/C20H19NO2/c1-13-19(16-10-4-5-12-18(16)23-13)20(22)21-17-11-6-8-14-7-2-3-9-15(14)17/h2-3,6-9,11H,4-5,10,12H2,1H3,(H,21,22)
InChIKeyUZIQDAOASGOPND-UHFFFAOYSA-N
XLogP4.87
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-iodophenyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 1308834
N-naphthalen-1-yl-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 597033
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
4-[[3-(naphthalen-1-ylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino]-4-oxobutanoic acid
CID 1047347
4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 54748267
naphthalen-1-ylurea;hydrochloride
CID 141142203
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
2-[(4-fluorophenyl)methylideneamino]-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3280141
4-(4-acetylphenyl)-N-naphthalen-1-ylbenzamide
CID 170421600
N-(2,3-dimethylphenyl)-2-methyl-4-oxochromene-3-carboxamide
CID 139794915
2-cyano-2-cyclopentylidene-N-naphthalen-1-ylacetamide
CID 878832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The IUPAC name of 2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (CID 596163) is 2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)Nc1cccc3ccccc13)CCCC2.
What is the InChIKey of 2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The InChIKey is UZIQDAOASGOPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-13-19(16-10-4-5-12-18(16)23-13)20(22)21-17-11-6-8-14-7-2-3-9-15(14)17/h2-3,6-9,11H,4-5,10,12H2,1H3,(H,21,22).
What are the key properties of 2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-naphthalen-1-yl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 596163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).