N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide

C19H21NO3 — CID 177442196

IUPACN-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide
SMILESCOC(OC)[C@@H]1CCc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H21NO3/c1-22-19(23-2)17-10-8-14-12-15(9-11-16(14)17)20-18(21)13-6-4-3-5-7-13/h3-7,9,11-12,17,19H,8,10H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeySUXYDLKJLKRKCF-QGZVFWFLSA-N
MW311.38 g/mol
LogP3.59
Rot. Bonds5

About N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide

N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide (PubChem CID 177442196) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide
PubChem CID177442196
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide
SMILESCOC(OC)[C@@H]1CCc2cc(NC(=O)c3ccccc3)ccc21
InChIInChI=1S/C19H21NO3/c1-22-19(23-2)17-10-8-14-12-15(9-11-16(14)17)20-18(21)13-6-4-3-5-7-13/h3-7,9,11-12,17,19H,8,10H2,1-2H3,(H,20,21)/t17-/m1/s1
InChIKeySUXYDLKJLKRKCF-QGZVFWFLSA-N
XLogP3.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 139221686
N-(1-methyl-3-oxo-1,2-dihydroinden-5-yl)benzamide
CID 86703337
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
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CID 45425987
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CID 4019473
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CID 82860164

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide?
The IUPAC name of N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide (CID 177442196) is N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide?
The canonical SMILES for N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide is COC(OC)[C@@H]1CCc2cc(NC(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide?
The InChIKey is SUXYDLKJLKRKCF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21NO3/c1-22-19(23-2)17-10-8-14-12-15(9-11-16(14)17)20-18(21)13-6-4-3-5-7-13/h3-7,9,11-12,17,19H,8,10H2,1-2H3,(H,20,21)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide?
N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide has a molecular weight of 311.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(dimethoxymethyl)-2,3-dihydro-1H-inden-5-yl]benzamide is sourced from PubChem (CID 177442196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).