2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C24H29N3O2 — CID 113165206

IUPAC2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C24H29N3O2/c1-16(2)20-10-7-8-17(3)24(20)26-23(29)15-27(18(4)28)13-12-19-14-25-22-11-6-5-9-21(19)22/h5-11,14,16,25H,12-13,15H2,1-4H3,(H,26,29)
InChIKeyDTWWPNXGFMZMDB-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.63
Rot. Bonds7

About 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 113165206) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID113165206
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1c(C)cccc1C(C)C
InChIInChI=1S/C24H29N3O2/c1-16(2)20-10-7-8-17(3)24(20)26-23(29)15-27(18(4)28)13-12-19-14-25-22-11-6-5-9-21(19)22/h5-11,14,16,25H,12-13,15H2,1-4H3,(H,26,29)
InChIKeyDTWWPNXGFMZMDB-UHFFFAOYSA-N
XLogP4.63
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113165203
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-fluorophenyl)acetamide
CID 113165241
2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113165479
3-[acetyl-[2-(2-fluorophenyl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113120993
3-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-[(2-methylphenyl)methyl]propanamide
CID 113121754
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113162240
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113165218
4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 25161859
2-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 25161690
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113209654
N-[2-(1H-indol-3-yl)ethyl]acetohydrazide
CID 141443100
2-[ethyl(methyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 60516691

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 113165206) is 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is CC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)Nc1c(C)cccc1C(C)C.
What is the InChIKey of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is DTWWPNXGFMZMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16(2)20-10-7-8-17(3)24(20)26-23(29)15-27(18(4)28)13-12-19-14-25-22-11-6-5-9-21(19)22/h5-11,14,16,25H,12-13,15H2,1-4H3,(H,26,29).
What are the key properties of 2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[acetyl-[2-(1H-indol-3-yl)ethyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 391.52 g/mol, XLogP of 4.63, 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-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113165206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).