3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide

C20H23N3O — CID 119951412

IUPAC3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
SMILESCc1cccc2c(CCNC(=O)CC(N)c3ccccc3)c[nH]c12
InChIInChI=1S/C20H23N3O/c1-14-6-5-9-17-16(13-23-20(14)17)10-11-22-19(24)12-18(21)15-7-3-2-4-8-15/h2-9,13,18,23H,10-12,21H2,1H3,(H,22,24)
InChIKeyLKHVLTBUBLLUEP-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.23
Rot. Bonds6

About 3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide

3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide (PubChem CID 119951412) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
PubChem CID119951412
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide
SMILESCc1cccc2c(CCNC(=O)CC(N)c3ccccc3)c[nH]c12
InChIInChI=1S/C20H23N3O/c1-14-6-5-9-17-16(13-23-20(14)17)10-11-22-19(24)12-18(21)15-7-3-2-4-8-15/h2-9,13,18,23H,10-12,21H2,1H3,(H,22,24)
InChIKeyLKHVLTBUBLLUEP-UHFFFAOYSA-N
XLogP3.23
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119322305
7-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]heptanamide;hydrochloride
CID 119781315
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119781349
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
1-(3-hydroxypropyl)-3-[2-(7-methyl-1H-indol-3-yl)ethyl]urea
CID 111507161
3-amino-N-[2-(4-fluoro-2-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119952335
5-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 167925600
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-[3-[(S)-methylsulfinyl]propyl]urea
CID 97318805
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
2-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]acetamide
CID 56758615

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide (CID 119951412) is 3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide is Cc1cccc2c(CCNC(=O)CC(N)c3ccccc3)c[nH]c12.
What is the InChIKey of 3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide?
The InChIKey is LKHVLTBUBLLUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-6-5-9-17-16(13-23-20(14)17)10-11-22-19(24)12-18(21)15-7-3-2-4-8-15/h2-9,13,18,23H,10-12,21H2,1H3,(H,22,24).
What are the key properties of 3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide?
3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide has a molecular weight of 321.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 119951412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).