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

C29H31N3O3 — CID 3190932

IUPACN-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide
SMILESCc1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C29H31N3O3/c1-20-10-5-8-15-25(20)32(27(33)18-21-19-30-24-14-7-6-13-23(21)24)28(26-16-9-17-35-26)29(34)31-22-11-3-2-4-12-22/h5-10,13-17,19,22,28,30H,2-4,11-12,18H2,1H3,(H,31,34)
InChIKeyAEHUUQWOZHCKQZ-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.84
Rot. Bonds7

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

N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide (PubChem CID 3190932) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide
PubChem CID3190932
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide
SMILESCc1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C29H31N3O3/c1-20-10-5-8-15-25(20)32(27(33)18-21-19-30-24-14-7-6-13-23(21)24)28(26-16-9-17-35-26)29(34)31-22-11-3-2-4-12-22/h5-10,13-17,19,22,28,30H,2-4,11-12,18H2,1H3,(H,31,34)
InChIKeyAEHUUQWOZHCKQZ-UHFFFAOYSA-N
XLogP5.84
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide (CID 3190932) is N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide is Cc1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)C(C(=O)NC1CCCCC1)c1ccco1.
What is the InChIKey of N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide?
The InChIKey is AEHUUQWOZHCKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-20-10-5-8-15-25(20)32(27(33)18-21-19-30-24-14-7-6-13-23(21)24)28(26-16-9-17-35-26)29(34)31-22-11-3-2-4-12-22/h5-10,13-17,19,22,28,30H,2-4,11-12,18H2,1H3,(H,31,34).
What are the key properties of N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide?
N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide has a molecular weight of 469.59 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-2-methylanilino)acetamide is sourced from PubChem (CID 3190932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).