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

C29H31N3O3 — CID 3190931

IUPACN-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)acetamide
SMILESCc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccco2)cc1
InChIInChI=1S/C29H31N3O3/c1-20-13-15-23(16-14-20)32(27(33)18-21-19-30-25-11-6-5-10-24(21)25)28(26-12-7-17-35-26)29(34)31-22-8-3-2-4-9-22/h5-7,10-17,19,22,28,30H,2-4,8-9,18H2,1H3,(H,31,34)
InChIKeyHONSBZZJUVDTFW-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]-4-methylanilino)acetamide

N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)acetamide (PubChem CID 3190931) 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]-4-methylanilino)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)acetamide
PubChem CID3190931
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]-4-methylanilino)acetamide
SMILESCc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccco2)cc1
InChIInChI=1S/C29H31N3O3/c1-20-13-15-23(16-14-20)32(27(33)18-21-19-30-25-11-6-5-10-24(21)25)28(26-12-7-17-35-26)29(34)31-22-8-3-2-4-9-22/h5-7,10-17,19,22,28,30H,2-4,8-9,18H2,1H3,(H,31,34)
InChIKeyHONSBZZJUVDTFW-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]-4-methylanilino)acetamide?
The IUPAC name of N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)acetamide (CID 3190931) is N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)acetamide?
The canonical SMILES for N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)acetamide is Cc1ccc(N(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccco2)cc1.
What is the InChIKey of N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)acetamide?
The InChIKey is HONSBZZJUVDTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-20-13-15-23(16-14-20)32(27(33)18-21-19-30-25-11-6-5-10-24(21)25)28(26-12-7-17-35-26)29(34)31-22-8-3-2-4-9-22/h5-7,10-17,19,22,28,30H,2-4,8-9,18H2,1H3,(H,31,34).
What are the key properties of N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)acetamide?
N-cyclohexyl-2-(furan-2-yl)-2-(N-[2-(1H-indol-3-yl)acetyl]-4-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]-4-methylanilino)acetamide is sourced from PubChem (CID 3190931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).