N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

C20H23NO2 — CID 18097960

IUPACN,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C20H23NO2/c1-13-8-5-6-9-16(13)12-21(4)20(22)18-11-7-10-17-14(2)15(3)23-19(17)18/h5-11,14-15H,12H2,1-4H3
InChIKeyJVDLEWWWPSHECZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.15
Rot. Bonds3

About N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide

N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 18097960) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID18097960
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C20H23NO2/c1-13-8-5-6-9-16(13)12-21(4)20(22)18-11-7-10-17-14(2)15(3)23-19(17)18/h5-11,14-15H,12H2,1-4H3
InChIKeyJVDLEWWWPSHECZ-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 42897286
N-methyl-N-[(2-methylphenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18114103
2-amino-3-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62661751
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
N,2,4-trimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028537
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
2-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 62073809
2-bromo-N-[(2-fluorophenyl)methyl]-N,3-dimethylbenzamide
CID 103852799
5-bromo-N-methyl-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 60631156
(2R,3S)-N-(cyclohexylmethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 30824030
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 43500722
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161

Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide (CID 18097960) is N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is Cc1ccccc1CN(C)C(=O)c1cccc2c1OC(C)C2C.
What is the InChIKey of N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is JVDLEWWWPSHECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-13-8-5-6-9-16(13)12-21(4)20(22)18-11-7-10-17-14(2)15(3)23-19(17)18/h5-11,14-15H,12H2,1-4H3.
What are the key properties of N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide?
N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 18097960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).