2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide

C23H27N3O2 — CID 113165203

IUPAC2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H27N3O2/c1-16(2)18-8-10-20(11-9-18)25-23(28)15-26(17(3)27)13-12-19-14-24-22-7-5-4-6-21(19)22/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,28)
InChIKeyNVOZYBPXPTVIMU-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.32
Rot. Bonds7

About 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide

2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 113165203) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID113165203
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C23H27N3O2/c1-16(2)18-8-10-20(11-9-18)25-23(28)15-26(17(3)27)13-12-19-14-24-22-7-5-4-6-21(19)22/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,28)
InChIKeyNVOZYBPXPTVIMU-UHFFFAOYSA-N
XLogP4.32
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113165218
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165206
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 113165241
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(1H-indol-3-yl)acetate
CID 4802171
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)propanamide
CID 113121825
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113121754
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113162237
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960222
N-but-3-enyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 11448238
N-[2-(1H-indol-3-yl)ethyl]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113056159
N-[2-(4-chloroanilino)-2-oxoethyl]-4-(1H-indol-3-yl)-N-methylbutanamide
CID 4807536
2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772039

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide (CID 113165203) is 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide is CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is NVOZYBPXPTVIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-16(2)18-8-10-20(11-9-18)25-23(28)15-26(17(3)27)13-12-19-14-24-22-7-5-4-6-21(19)22/h4-11,14,16,24H,12-13,15H2,1-3H3,(H,25,28).
What are the key properties of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide?
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 377.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113165203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).