N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide

C22H24N6O2 — CID 75491978

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4nnn(C(C)C)n4)cc3)c2c1
InChIInChI=1S/C22H24N6O2/c1-14(2)28-26-21(25-27-28)15-4-6-16(7-5-15)22(29)23-11-10-17-13-24-20-9-8-18(30-3)12-19(17)20/h4-9,12-14,24H,10-11H2,1-3H3,(H,23,29)
InChIKeyIDFNYADVMRMGCB-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.38
Rot. Bonds7

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide (PubChem CID 75491978) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
PubChem CID75491978
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4nnn(C(C)C)n4)cc3)c2c1
InChIInChI=1S/C22H24N6O2/c1-14(2)28-26-21(25-27-28)15-4-6-16(7-5-15)22(29)23-11-10-17-13-24-20-9-8-18(30-3)12-19(17)20/h4-9,12-14,24H,10-11H2,1-3H3,(H,23,29)
InChIKeyIDFNYADVMRMGCB-UHFFFAOYSA-N
XLogP3.38
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75489199
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
4-(1-acetyl-2,3-dihydroindol-5-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 53010729
6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 146092029
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 96534724
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
CID 129111079
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methyl-1,2,4-oxadiazole-5-carboxamide
CID 29147475
[(2S)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl] acetate
CID 51852107
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 91925467
N-[2-[2-[2-[[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23845047

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide (CID 75491978) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide is COc1ccc2[nH]cc(CCNC(=O)c3ccc(-c4nnn(C(C)C)n4)cc3)c2c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
The InChIKey is IDFNYADVMRMGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-14(2)28-26-21(25-27-28)15-4-6-16(7-5-15)22(29)23-11-10-17-13-24-20-9-8-18(30-3)12-19(17)20/h4-9,12-14,24H,10-11H2,1-3H3,(H,23,29).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide has a molecular weight of 404.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide is sourced from PubChem (CID 75491978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).