N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

C26H30N4O5 — CID 3210689

IUPACN'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccco2)no1
InChIInChI=1S/C26H30N4O5/c1-18-16-22(29-35-18)28-23(31)13-14-24(32)30(17-19-8-3-2-4-9-19)25(21-12-7-15-34-21)26(33)27-20-10-5-6-11-20/h2-4,7-9,12,15-16,20,25H,5-6,10-11,13-14,17H2,1H3,(H,27,33)(H,28,29,31)
InChIKeyPVQVFAADTAYNOQ-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.12
Rot. Bonds10

About N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide

N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 3210689) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID3210689
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC NameN'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccco2)no1
InChIInChI=1S/C26H30N4O5/c1-18-16-22(29-35-18)28-23(31)13-14-24(32)30(17-19-8-3-2-4-9-19)25(21-12-7-15-34-21)26(33)27-20-10-5-6-11-20/h2-4,7-9,12,15-16,20,25H,5-6,10-11,13-14,17H2,1H3,(H,27,33)(H,28,29,31)
InChIKeyPVQVFAADTAYNOQ-UHFFFAOYSA-N
XLogP4.12
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 3210689) is N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is Cc1cc(NC(=O)CCC(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccco2)no1.
What is the InChIKey of N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is PVQVFAADTAYNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-18-16-22(29-35-18)28-23(31)13-14-24(32)30(17-19-8-3-2-4-9-19)25(21-12-7-15-34-21)26(33)27-20-10-5-6-11-20/h2-4,7-9,12,15-16,20,25H,5-6,10-11,13-14,17H2,1H3,(H,27,33)(H,28,29,31).
What are the key properties of N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 478.55 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 3210689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).