N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide

C22H23N3O2 — CID 29147453

IUPACN-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H23N3O2/c1-15(11-17-13-23-20-6-4-3-5-19(17)20)24-22(26)14-25-10-9-16-12-18(27-2)7-8-21(16)25/h3-10,12-13,15,23H,11,14H2,1-2H3,(H,24,26)/t15-/m0/s1
InChIKeyLYTLKPPNQNKOGH-HNNXBMFYSA-N
MW361.45 g/mol
LogP3.88
Rot. Bonds6

About N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide

N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide (PubChem CID 29147453) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide
PubChem CID29147453
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1ccc2c(ccn2CC(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C22H23N3O2/c1-15(11-17-13-23-20-6-4-3-5-19(17)20)24-22(26)14-25-10-9-16-12-18(27-2)7-8-21(16)25/h3-10,12-13,15,23H,11,14H2,1-2H3,(H,24,26)/t15-/m0/s1
InChIKeyLYTLKPPNQNKOGH-HNNXBMFYSA-N
XLogP3.88
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoroindol-1-yl)-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 42655242
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
2-(5-methoxyindol-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 42648833
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
(2S)-2-[[2-(5-methoxyindol-1-yl)acetyl]amino]propanoic acid
CID 39377928
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
tert-butyl N-[(2S)-1-(5-methoxy-1H-indol-3-yl)propan-2-yl]carbamate
CID 139446493
(2S)-3-(1H-indol-3-yl)-2-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 6963896
2-(5-methoxyindol-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 29133435
2-(5-methoxyindol-1-yl)-N-pyridin-2-ylacetamide
CID 29137208

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide?
The IUPAC name of N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide (CID 29147453) is N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide?
The canonical SMILES for N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide is COc1ccc2c(ccn2CC(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide?
The InChIKey is LYTLKPPNQNKOGH-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15(11-17-13-23-20-6-4-3-5-19(17)20)24-22(26)14-25-10-9-16-12-18(27-2)7-8-21(16)25/h3-10,12-13,15,23H,11,14H2,1-2H3,(H,24,26)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide?
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-2-(5-methoxyindol-1-yl)acetamide is sourced from PubChem (CID 29147453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).