N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide

C16H20N6O — CID 118764571

IUPACN-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1cccc2c(CCNC(=O)CCn3nnnc3C)c[nH]c12
InChIInChI=1S/C16H20N6O/c1-11-4-3-5-14-13(10-18-16(11)14)6-8-17-15(23)7-9-22-12(2)19-20-21-22/h3-5,10,18H,6-9H2,1-2H3,(H,17,23)
InChIKeySYVAJBOIMZDMGK-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.52
Rot. Bonds6

About N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide

N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 118764571) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID118764571
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1cccc2c(CCNC(=O)CCn3nnnc3C)c[nH]c12
InChIInChI=1S/C16H20N6O/c1-11-4-3-5-14-13(10-18-16(11)14)6-8-17-15(23)7-9-22-12(2)19-20-21-22/h3-5,10,18H,6-9H2,1-2H3,(H,17,23)
InChIKeySYVAJBOIMZDMGK-UHFFFAOYSA-N
XLogP1.52
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 119781315
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]acetamide
CID 56758615
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119781349
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
CID 119951412
1-[(2S)-1-(dimethylamino)propan-2-yl]-1-ethyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 124726945
N-[2-(7-ethyl-1H-indol-3-yl)ethyl]-4-(methylamino)butanamide
CID 119779419
4-(7-methyl-1H-indol-3-yl)butan-2-one
CID 28806455
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111506685
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]acetamide
CID 119781344
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide (CID 118764571) is N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide is Cc1cccc2c(CCNC(=O)CCn3nnnc3C)c[nH]c12.
What is the InChIKey of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is SYVAJBOIMZDMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11-4-3-5-14-13(10-18-16(11)14)6-8-17-15(23)7-9-22-12(2)19-20-21-22/h3-5,10,18H,6-9H2,1-2H3,(H,17,23).
What are the key properties of N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 312.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 118764571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).