N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide

C21H22N6O2 — CID 650750

IUPACN-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1nnn(CC(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H22N6O2/c1-3-19(28)22-17-10-6-5-9-16(17)21-23-25-26(24-21)13-20(29)27-14(2)12-15-8-4-7-11-18(15)27/h4-11,14H,3,12-13H2,1-2H3,(H,22,28)
InChIKeyHHIIBPQXGJDMPL-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.67
Rot. Bonds5

About N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide

N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide (PubChem CID 650750) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide
PubChem CID650750
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC NameN-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1-c1nnn(CC(=O)N2c3ccccc3CC2C)n1
InChIInChI=1S/C21H22N6O2/c1-3-19(28)22-17-10-6-5-9-16(17)21-23-25-26(24-21)13-20(29)27-14(2)12-15-8-4-7-11-18(15)27/h4-11,14H,3,12-13H2,1-2H3,(H,22,28)
InChIKeyHHIIBPQXGJDMPL-UHFFFAOYSA-N
XLogP2.67
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-2-[5-(2-fluorophenyl)-2H-tetrazol-2-yl]ethanone
CID 3438303
Cyclopropanecarboxylic acid [2-(2-cyclohexylcarbamoylmethyl-2H-tetrazol-5-yl)-phenyl]-amide
CID 647142
1-(3,4-Dihydro-2H-quinolin-1-yl)-2-(5-p-tolyl-tetrazol-2-yl)-ethanone
CID 863239
N-[2-[2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-methylbutanamide
CID 1440203
N-(2,6-dimethylphenyl)-2-[5-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]tetrazol-2-yl]acetamide
CID 1462999
[2-(2-Methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(5-phenyltetrazol-2-yl)acetate
CID 2998726
N-(tert-Butylcarbamoyl-methyl)-2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-N-(5,6,7,8-tetrahydro-naphthalen-1-yl)-acetamide
CID 3190063
N-tert-Butyl-2-[{2-[5-(2-fluoro-phenyl)-tetrazol-2-yl]-acetyl}-(5,6,7,8-tetrahydro-naphthalen-1-yl)-amino]-butyramide
CID 3190066
N-[3-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]propyl]acetamide
CID 135371577
4-[[5-[2-[4-(Trifluoromethyl)anilino]phenyl]tetrazol-2-yl]methyl]imidazolidin-2-one
CID 135372271
N-[2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]ethyl]acetamide
CID 135372350
N,N-dimethyl-2-[5-[2-[4-(trifluoromethyl)anilino]phenyl]tetrazol-2-yl]acetamide
CID 135372491

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide?
The IUPAC name of N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide (CID 650750) is N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide.
What is the SMILES notation for N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide?
The canonical SMILES for N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide is CCC(=O)Nc1ccccc1-c1nnn(CC(=O)N2c3ccccc3CC2C)n1.
What is the InChIKey of N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide?
The InChIKey is HHIIBPQXGJDMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-3-19(28)22-17-10-6-5-9-16(17)21-23-25-26(24-21)13-20(29)27-14(2)12-15-8-4-7-11-18(15)27/h4-11,14H,3,12-13H2,1-2H3,(H,22,28).
What are the key properties of N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide?
N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide has a molecular weight of 390.45 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]tetrazol-5-yl]phenyl]propanamide is sourced from PubChem (CID 650750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).