2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide

C30H32N4O4 — CID 3190935

IUPAC2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide
SMILESCC(=O)Nc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccco2)cc1
InChIInChI=1S/C30H32N4O4/c1-20(35)32-23-13-15-24(16-14-23)34(28(36)18-21-19-31-26-11-6-5-10-25(21)26)29(27-12-7-17-38-27)30(37)33-22-8-3-2-4-9-22/h5-7,10-17,19,22,29,31H,2-4,8-9,18H2,1H3,(H,32,35)(H,33,37)
InChIKeyWWZOYSQNBDLVTI-UHFFFAOYSA-N
MW512.61 g/mol
LogP5.49
Rot. Bonds8

About 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide

2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide (PubChem CID 3190935) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide
PubChem CID3190935
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC Name2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide
SMILESCC(=O)Nc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccco2)cc1
InChIInChI=1S/C30H32N4O4/c1-20(35)32-23-13-15-24(16-14-23)34(28(36)18-21-19-31-26-11-6-5-10-25(21)26)29(27-12-7-17-38-27)30(37)33-22-8-3-2-4-9-22/h5-7,10-17,19,22,29,31H,2-4,8-9,18H2,1H3,(H,32,35)(H,33,37)
InChIKeyWWZOYSQNBDLVTI-UHFFFAOYSA-N
XLogP5.49
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide?
The IUPAC name of 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide (CID 3190935) is 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide.
What is the SMILES notation for 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide?
The canonical SMILES for 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide is CC(=O)Nc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccco2)cc1.
What is the InChIKey of 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide?
The InChIKey is WWZOYSQNBDLVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-20(35)32-23-13-15-24(16-14-23)34(28(36)18-21-19-31-26-11-6-5-10-25(21)26)29(27-12-7-17-38-27)30(37)33-22-8-3-2-4-9-22/h5-7,10-17,19,22,29,31H,2-4,8-9,18H2,1H3,(H,32,35)(H,33,37).
What are the key properties of 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide?
2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide has a molecular weight of 512.61 g/mol, XLogP of 5.49, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamido-N-[2-(1H-indol-3-yl)acetyl]anilino)-N-cyclohexyl-2-(furan-2-yl)acetamide is sourced from PubChem (CID 3190935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).