N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide

C20H21N5O3 — CID 128963045

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)c1ccccc1-n1nnnc1C)CC2
InChIInChI=1S/C20H21N5O3/c1-12-22-23-24-25(12)17-7-5-4-6-14(17)20(26)21-16-9-8-13-10-18(27-2)19(28-3)11-15(13)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,21,26)
InChIKeyCZGWXIKMGPAMIY-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.41
Rot. Bonds5

About N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide (PubChem CID 128963045) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide
PubChem CID128963045
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)c1ccccc1-n1nnnc1C)CC2
InChIInChI=1S/C20H21N5O3/c1-12-22-23-24-25(12)17-7-5-4-6-14(17)20(26)21-16-9-8-13-10-18(27-2)19(28-3)11-15(13)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,21,26)
InChIKeyCZGWXIKMGPAMIY-UHFFFAOYSA-N
XLogP2.41
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-methylbenzamide
CID 110399663
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 125433213
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-4-methylbenzamide
CID 110399665
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 125431255
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-2-(tetrazol-1-yl)propanamide
CID 155486475
ethyl N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)carbamate
CID 110399711
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 125431572
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431726
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-2-(4-phenylimidazol-1-yl)acetamide
CID 125431725
(2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 128963107
N-[(1S)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 125433415
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 122714977

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide (CID 128963045) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide is COc1cc2c(cc1OC)C(NC(=O)c1ccccc1-n1nnnc1C)CC2.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide?
The InChIKey is CZGWXIKMGPAMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-22-23-24-25(12)17-7-5-4-6-14(17)20(26)21-16-9-8-13-10-18(27-2)19(28-3)11-15(13)16/h4-7,10-11,16H,8-9H2,1-3H3,(H,21,26).
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(5-methyltetrazol-1-yl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 2.41, 5 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)-2-(5-methyltetrazol-1-yl)benzamide is sourced from PubChem (CID 128963045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).