2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide

C30H33N3O3 — CID 3190948

IUPAC2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)Cc2c[nH]c3ccccc23)o1
InChIInChI=1S/C30H33N3O3/c1-21-16-17-27(36-21)29(30(35)32-24-12-6-3-7-13-24)33(20-22-10-4-2-5-11-22)28(34)18-23-19-31-26-15-9-8-14-25(23)26/h2,4-5,8-11,14-17,19,24,29,31H,3,6-7,12-13,18,20H2,1H3,(H,32,35)
InChIKeyRVLNJSBWGUYYJD-UHFFFAOYSA-N
MW483.61 g/mol
LogP5.83
Rot. Bonds8

About 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide

2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3190948) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
PubChem CID3190948
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Name2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide
SMILESCc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)Cc2c[nH]c3ccccc23)o1
InChIInChI=1S/C30H33N3O3/c1-21-16-17-27(36-21)29(30(35)32-24-12-6-3-7-13-24)33(20-22-10-4-2-5-11-22)28(34)18-23-19-31-26-15-9-8-14-25(23)26/h2,4-5,8-11,14-17,19,24,29,31H,3,6-7,12-13,18,20H2,1H3,(H,32,35)
InChIKeyRVLNJSBWGUYYJD-UHFFFAOYSA-N
XLogP5.83
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.61
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide with MolForge

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Related Compounds

1-[7-(1,3-benzoxazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507819
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-2,3-dihydro-1H-indole-2,3-dione
CID 23647542
1-(4-benzoylpiperazin-1-yl)-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506242
1-(4-benzoylpiperazin-1-yl)-2-(4-ethoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506248
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(4-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 506330
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 2227674
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(2-furylmethyl)-1H-indole-7-carboxamide
CID 507850
N-[(4-ethoxyphenyl)methyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 2450324
1-(1H-Indol-3-ylcarbonyl)-N-(4-methoxybenzyl)formamide
CID 1588018
Maleimide derivative, 9
CID 44263382
(2R)-N-[(2S)-1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 10671411

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide (CID 3190948) is 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide is Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)Cc2c[nH]c3ccccc23)o1.
What is the InChIKey of 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is RVLNJSBWGUYYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c1-21-16-17-27(36-21)29(30(35)32-24-12-6-3-7-13-24)33(20-22-10-4-2-5-11-22)28(34)18-23-19-31-26-15-9-8-14-25(23)26/h2,4-5,8-11,14-17,19,24,29,31H,3,6-7,12-13,18,20H2,1H3,(H,32,35).
What are the key properties of 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide?
2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 483.61 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[2-(1H-indol-3-yl)acetyl]amino]-N-cyclohexyl-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3190948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).