N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide

C21H23N5O3 — CID 155486475

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)C(Cc1ccccc1)n1cnnn1)CC2
InChIInChI=1S/C21H23N5O3/c1-28-19-11-15-8-9-17(16(15)12-20(19)29-2)23-21(27)18(26-13-22-24-25-26)10-14-6-4-3-5-7-14/h3-7,11-13,17-18H,8-10H2,1-2H3,(H,23,27)
InChIKeySUAFEVRSIYGTKJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.28
Rot. Bonds7

About N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide (PubChem CID 155486475) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
PubChem CID155486475
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)C(Cc1ccccc1)n1cnnn1)CC2
InChIInChI=1S/C21H23N5O3/c1-28-19-11-15-8-9-17(16(15)12-20(19)29-2)23-21(27)18(26-13-22-24-25-26)10-14-6-4-3-5-7-14/h3-7,11-13,17-18H,8-10H2,1-2H3,(H,23,27)
InChIKeySUAFEVRSIYGTKJ-UHFFFAOYSA-N
XLogP2.28
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide (CID 155486475) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide is COc1cc2c(cc1OC)C(NC(=O)C(Cc1ccccc1)n1cnnn1)CC2.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
The InChIKey is SUAFEVRSIYGTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-28-19-11-15-8-9-17(16(15)12-20(19)29-2)23-21(27)18(26-13-22-24-25-26)10-14-6-4-3-5-7-14/h3-7,11-13,17-18H,8-10H2,1-2H3,(H,23,27).
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide has a molecular weight of 393.45 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 155486475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).