N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide

C25H33N3O4 — CID 3241744

IUPACN-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C25H33N3O4/c1-3-25(2,24(31)27-20-13-8-5-9-14-20)28(18-21-15-10-16-32-21)22(29)17-26-23(30)19-11-6-4-7-12-19/h4,6-7,10-12,15-16,20H,3,5,8-9,13-14,17-18H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyOLYVBSNFFIAZHX-UHFFFAOYSA-N
MW439.56 g/mol
LogP3.66
Rot. Bonds9

About N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide

N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 3241744) has the molecular formula C25H33N3O4 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID3241744
Molecular FormulaC25H33N3O4
Molecular Weight439.56 g/mol
Exact Mass439.25
IUPAC NameN-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C25H33N3O4/c1-3-25(2,24(31)27-20-13-8-5-9-14-20)28(18-21-15-10-16-32-21)22(29)17-26-23(30)19-11-6-4-7-12-19/h4,6-7,10-12,15-16,20H,3,5,8-9,13-14,17-18H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyOLYVBSNFFIAZHX-UHFFFAOYSA-N
XLogP3.66
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide (CID 3241744) is N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide is CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccccc1.
What is the InChIKey of N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is OLYVBSNFFIAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4/c1-3-25(2,24(31)27-20-13-8-5-9-14-20)28(18-21-15-10-16-32-21)22(29)17-26-23(30)19-11-6-4-7-12-19/h4,6-7,10-12,15-16,20H,3,5,8-9,13-14,17-18H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 439.56 g/mol, XLogP of 3.66, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(furan-2-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 3241744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).