N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide

C21H22N6O — CID 56868894

IUPACN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1cc(CNC(=O)CCn2cnnn2)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C21H22N6O/c1-14-10-17(12-22-19(28)8-9-27-13-23-25-26-27)21-18(11-14)15(2)20(24-21)16-6-4-3-5-7-16/h3-7,10-11,13,24H,8-9,12H2,1-2H3,(H,22,28)
InChIKeyOKZZSKNTZADGTL-UHFFFAOYSA-N
MW374.45 g/mol
LogP3.14
Rot. Bonds6

About N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide

N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide (PubChem CID 56868894) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide
PubChem CID56868894
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC NameN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide
SMILESCc1cc(CNC(=O)CCn2cnnn2)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C21H22N6O/c1-14-10-17(12-22-19(28)8-9-27-13-23-25-26-27)21-18(11-14)15(2)20(24-21)16-6-4-3-5-7-16/h3-7,10-11,13,24H,8-9,12H2,1-2H3,(H,22,28)
InChIKeyOKZZSKNTZADGTL-UHFFFAOYSA-N
XLogP3.14
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide (CID 56868894) is N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide is Cc1cc(CNC(=O)CCn2cnnn2)c2[nH]c(-c3ccccc3)c(C)c2c1.
What is the InChIKey of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide?
The InChIKey is OKZZSKNTZADGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14-10-17(12-22-19(28)8-9-27-13-23-25-26-27)21-18(11-14)15(2)20(24-21)16-6-4-3-5-7-16/h3-7,10-11,13,24H,8-9,12H2,1-2H3,(H,22,28).
What are the key properties of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide?
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide has a molecular weight of 374.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 56868894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).