N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

C21H29N5O3 — CID 128962947

IUPACN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CC1(Cn3cnnn3)CCCCC1)CC2
InChIInChI=1S/C21H29N5O3/c1-28-18-10-15-6-7-17(16(15)11-19(18)29-2)23-20(27)12-21(8-4-3-5-9-21)13-26-14-22-24-25-26/h10-11,14,17H,3-9,12-13H2,1-2H3,(H,23,27)
InChIKeyNEFCNSBCYRBSBC-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.83
Rot. Bonds7

About N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide

N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (PubChem CID 128962947) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
PubChem CID128962947
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)CC1(Cn3cnnn3)CCCCC1)CC2
InChIInChI=1S/C21H29N5O3/c1-28-18-10-15-6-7-17(16(15)11-19(18)29-2)23-20(27)12-21(8-4-3-5-9-21)13-26-14-22-24-25-26/h10-11,14,17H,3-9,12-13H2,1-2H3,(H,23,27)
InChIKeyNEFCNSBCYRBSBC-UHFFFAOYSA-N
XLogP2.83
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.83
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)-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-(3H-benzimidazol-5-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125433760
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 121239339
N-(3-methylsulfanylphenyl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51048716
N-(1H-indol-6-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 51049242
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(4-fluorophenyl)acetamide
CID 110399683
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-[3,5-dimethyl-4-(2-methylprop-2-enyl)pyrazol-1-yl]propanamide
CID 125433046
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide
CID 125431354
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 128963304
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

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The IUPAC name of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide (CID 128962947) is N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide.
What is the SMILES notation for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The canonical SMILES for N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is COc1cc2c(cc1OC)C(NC(=O)CC1(Cn3cnnn3)CCCCC1)CC2.
What is the InChIKey of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
The InChIKey is NEFCNSBCYRBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-28-18-10-15-6-7-17(16(15)11-19(18)29-2)23-20(27)12-21(8-4-3-5-9-21)13-26-14-22-24-25-26/h10-11,14,17H,3-9,12-13H2,1-2H3,(H,23,27).
What are the key properties of N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide?
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide has a molecular weight of 399.50 g/mol, XLogP of 2.83, 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)-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]acetamide is sourced from PubChem (CID 128962947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).