N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide

C20H23NO2 — CID 23114243

IUPACN-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide
SMILESCc1cc2c(c(C)c1NC=O)C(c1ccc(C(C)C)cc1)CO2
InChIInChI=1S/C20H23NO2/c1-12(2)15-5-7-16(8-6-15)17-10-23-18-9-13(3)20(21-11-22)14(4)19(17)18/h5-9,11-12,17H,10H2,1-4H3,(H,21,22)
InChIKeyIMYKXMVBGUZMGQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.52
Rot. Bonds4

About N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide

N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide (PubChem CID 23114243) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide
PubChem CID23114243
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide
SMILESCc1cc2c(c(C)c1NC=O)C(c1ccc(C(C)C)cc1)CO2
InChIInChI=1S/C20H23NO2/c1-12(2)15-5-7-16(8-6-15)17-10-23-18-9-13(3)20(21-11-22)14(4)19(17)18/h5-9,11-12,17H,10H2,1-4H3,(H,21,22)
InChIKeyIMYKXMVBGUZMGQ-UHFFFAOYSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide?
The IUPAC name of N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide (CID 23114243) is N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide.
What is the SMILES notation for N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide?
The canonical SMILES for N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide is Cc1cc2c(c(C)c1NC=O)C(c1ccc(C(C)C)cc1)CO2.
What is the InChIKey of N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide?
The InChIKey is IMYKXMVBGUZMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-12(2)15-5-7-16(8-6-15)17-10-23-18-9-13(3)20(21-11-22)14(4)19(17)18/h5-9,11-12,17H,10H2,1-4H3,(H,21,22).
What are the key properties of N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide?
N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide has a molecular weight of 309.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran-5-yl]formamide is sourced from PubChem (CID 23114243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).