N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C18H19NO2 — CID 44782559

IUPACN-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C18H19NO2/c1-11-4-5-12(2)16(8-11)19-18(20)14-6-7-17-15(10-14)9-13(3)21-17/h4-8,10,13H,9H2,1-3H3,(H,19,20)
InChIKeyCWLAYLPGKMMVNT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.88
Rot. Bonds2

About N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 44782559) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID44782559
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)c2ccc3c(c2)CC(C)O3)c1
InChIInChI=1S/C18H19NO2/c1-11-4-5-12(2)16(8-11)19-18(20)14-6-7-17-15(10-14)9-13(3)21-17/h4-8,10,13H,9H2,1-3H3,(H,19,20)
InChIKeyCWLAYLPGKMMVNT-UHFFFAOYSA-N
XLogP3.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-methyl-N-(3-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 27210785
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,4,6-trimethylphenyl)methanone
CID 43297079
N-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 44782602
(2-amino-5-methylphenyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 65454365
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
cyclopropane;2,5-dimethyl-2,3-dihydro-1-benzofuran;ethane
CID 145338226
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
N-(2,5-dimethylphenyl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 8712515
4-methyl-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 81475809
cyclobutyl-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 43297096
N-(2-amino-5-methylphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 115912217
N-(2,5-dimethylphenyl)-4-(trifluoromethyl)benzamide
CID 4801581

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 44782559) is N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CC(C)O3)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is CWLAYLPGKMMVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-11-4-5-12(2)16(8-11)19-18(20)14-6-7-17-15(10-14)9-13(3)21-17/h4-8,10,13H,9H2,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 44782559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).