N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide

C31H35N3O4 — CID 3190949

IUPACN-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide
SMILESCOc1ccc(CN(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(C)o2)cc1
InChIInChI=1S/C31H35N3O4/c1-21-12-17-28(38-21)30(31(36)33-24-8-4-3-5-9-24)34(20-22-13-15-25(37-2)16-14-22)29(35)18-23-19-32-27-11-7-6-10-26(23)27/h6-7,10-17,19,24,30,32H,3-5,8-9,18,20H2,1-2H3,(H,33,36)
InChIKeyUFASUQJTYXSHCU-UHFFFAOYSA-N
MW513.64 g/mol
LogP5.84
Rot. Bonds9

About N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide

N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide (PubChem CID 3190949) has the molecular formula C31H35N3O4 and a molecular weight of 513.64 g/mol. Its IUPAC name is N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide
PubChem CID3190949
Molecular FormulaC31H35N3O4
Molecular Weight513.64 g/mol
Exact Mass513.26
IUPAC NameN-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide
SMILESCOc1ccc(CN(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(C)o2)cc1
InChIInChI=1S/C31H35N3O4/c1-21-12-17-28(38-21)30(31(36)33-24-8-4-3-5-9-24)34(20-22-13-15-25(37-2)16-14-22)29(35)18-23-19-32-27-11-7-6-10-26(23)27/h6-7,10-17,19,24,30,32H,3-5,8-9,18,20H2,1-2H3,(H,33,36)
InChIKeyUFASUQJTYXSHCU-UHFFFAOYSA-N
XLogP5.84
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide (CID 3190949) is N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide is COc1ccc(CN(C(=O)Cc2c[nH]c3ccccc23)C(C(=O)NC2CCCCC2)c2ccc(C)o2)cc1.
What is the InChIKey of N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide?
The InChIKey is UFASUQJTYXSHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O4/c1-21-12-17-28(38-21)30(31(36)33-24-8-4-3-5-9-24)34(20-22-13-15-25(37-2)16-14-22)29(35)18-23-19-32-27-11-7-6-10-26(23)27/h6-7,10-17,19,24,30,32H,3-5,8-9,18,20H2,1-2H3,(H,33,36).
What are the key properties of N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide?
N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide has a molecular weight of 513.64 g/mol, XLogP of 5.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[2-(1H-indol-3-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(5-methylfuran-2-yl)acetamide is sourced from PubChem (CID 3190949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).