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

C25H37N3O4 — CID 4011935

IUPACN-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C25H37N3O4/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/h4,6-7,11-12,20-21H,3,5,8-10,13-18H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXYCZYLAETBSYHW-UHFFFAOYSA-N
MW443.59 g/mol
LogP3.04
Rot. Bonds9

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

N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide (PubChem CID 4011935) has the molecular formula C25H37N3O4 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
PubChem CID4011935
Molecular FormulaC25H37N3O4
Molecular Weight443.59 g/mol
Exact Mass443.28
IUPAC NameN-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide
SMILESCCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C25H37N3O4/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/h4,6-7,11-12,20-21H,3,5,8-10,13-18H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyXYCZYLAETBSYHW-UHFFFAOYSA-N
XLogP3.04
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.59
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide (CID 4011935) is N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-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]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is XYCZYLAETBSYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O4/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/h4,6-7,11-12,20-21H,3,5,8-10,13-18H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide?
N-[2-[[1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 443.59 g/mol, XLogP of 3.04, 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]-(oxolan-2-ylmethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 4011935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).