N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide

C19H21NO2 — CID 91631268

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide
SMILESCOC1(CNC(=O)c2ccccc2C)Cc2ccccc2C1
InChIInChI=1S/C19H21NO2/c1-14-7-3-6-10-17(14)18(21)20-13-19(22-2)11-15-8-4-5-9-16(15)12-19/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyDSFYAHYFPRDYMW-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide (PubChem CID 91631268) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide
PubChem CID91631268
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide
SMILESCOC1(CNC(=O)c2ccccc2C)Cc2ccccc2C1
InChIInChI=1S/C19H21NO2/c1-14-7-3-6-10-17(14)18(21)20-13-19(22-2)11-15-8-4-5-9-16(15)12-19/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyDSFYAHYFPRDYMW-UHFFFAOYSA-N
XLogP2.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide (CID 91631268) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide is COC1(CNC(=O)c2ccccc2C)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide?
The InChIKey is DSFYAHYFPRDYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14-7-3-6-10-17(14)18(21)20-13-19(22-2)11-15-8-4-5-9-16(15)12-19/h3-10H,11-13H2,1-2H3,(H,20,21).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide has a molecular weight of 295.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-2-methylbenzamide is sourced from PubChem (CID 91631268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).