3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide

C30H37N3O3 — CID 68563101

IUPAC3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide
SMILESCCCN(C)C(=O)c1ccc(NC(c2cc(-c3cccc(C(N)=O)c3)oc2C)C2CCCCC2)cc1
InChIInChI=1S/C30H37N3O3/c1-4-17-33(3)30(35)22-13-15-25(16-14-22)32-28(21-9-6-5-7-10-21)26-19-27(36-20(26)2)23-11-8-12-24(18-23)29(31)34/h8,11-16,18-19,21,28,32H,4-7,9-10,17H2,1-3H3,(H2,31,34)
InChIKeySNFDRLOJSHGYGL-UHFFFAOYSA-N
MW487.64 g/mol
LogP6.57
Rot. Bonds9

About 3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide

3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide (PubChem CID 68563101) has the molecular formula C30H37N3O3 and a molecular weight of 487.64 g/mol. Its IUPAC name is 3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide.

Molecular Properties

Compound Name3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide
PubChem CID68563101
Molecular FormulaC30H37N3O3
Molecular Weight487.64 g/mol
Exact Mass487.28
IUPAC Name3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide
SMILESCCCN(C)C(=O)c1ccc(NC(c2cc(-c3cccc(C(N)=O)c3)oc2C)C2CCCCC2)cc1
InChIInChI=1S/C30H37N3O3/c1-4-17-33(3)30(35)22-13-15-25(16-14-22)32-28(21-9-6-5-7-10-21)26-19-27(36-20(26)2)23-11-8-12-24(18-23)29(31)34/h8,11-16,18-19,21,28,32H,4-7,9-10,17H2,1-3H3,(H2,31,34)
InChIKeySNFDRLOJSHGYGL-UHFFFAOYSA-N
XLogP6.57
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide?
The IUPAC name of 3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide (CID 68563101) is 3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide.
What is the SMILES notation for 3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide?
The canonical SMILES for 3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide is CCCN(C)C(=O)c1ccc(NC(c2cc(-c3cccc(C(N)=O)c3)oc2C)C2CCCCC2)cc1.
What is the InChIKey of 3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide?
The InChIKey is SNFDRLOJSHGYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O3/c1-4-17-33(3)30(35)22-13-15-25(16-14-22)32-28(21-9-6-5-7-10-21)26-19-27(36-20(26)2)23-11-8-12-24(18-23)29(31)34/h8,11-16,18-19,21,28,32H,4-7,9-10,17H2,1-3H3,(H2,31,34).
What are the key properties of 3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide?
3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide has a molecular weight of 487.64 g/mol, XLogP of 6.57, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[cyclohexyl-[4-[methyl(propyl)carbamoyl]anilino]methyl]-5-methylfuran-2-yl]benzamide is sourced from PubChem (CID 68563101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).