N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

C23H32N4O5 — CID 3153749

IUPACN'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C)(C)C(=O)NC2CCCCC2)no1
InChIInChI=1S/C23H32N4O5/c1-16-14-19(26-32-16)25-20(28)11-12-21(29)27(15-18-10-7-13-31-18)23(2,3)22(30)24-17-8-5-4-6-9-17/h7,10,13-14,17H,4-6,8-9,11-12,15H2,1-3H3,(H,24,30)(H,25,26,28)
InChIKeyZASZLCCESIWFHO-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.55
Rot. Bonds9

About N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 3153749) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID3153749
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC NameN'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C)(C)C(=O)NC2CCCCC2)no1
InChIInChI=1S/C23H32N4O5/c1-16-14-19(26-32-16)25-20(28)11-12-21(29)27(15-18-10-7-13-31-18)23(2,3)22(30)24-17-8-5-4-6-9-17/h7,10,13-14,17H,4-6,8-9,11-12,15H2,1-3H3,(H,24,30)(H,25,26,28)
InChIKeyZASZLCCESIWFHO-UHFFFAOYSA-N
XLogP3.55
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 3153749) is N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is Cc1cc(NC(=O)CCC(=O)N(Cc2ccco2)C(C)(C)C(=O)NC2CCCCC2)no1.
What is the InChIKey of N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is ZASZLCCESIWFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-16-14-19(26-32-16)25-20(28)11-12-21(29)27(15-18-10-7-13-31-18)23(2,3)22(30)24-17-8-5-4-6-9-17/h7,10,13-14,17H,4-6,8-9,11-12,15H2,1-3H3,(H,24,30)(H,25,26,28).
What are the key properties of N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 444.53 g/mol, XLogP of 3.55, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]-N'-(furan-2-ylmethyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 3153749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).