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

C27H32N4O5 — CID 648446

IUPACN'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1ccc(C)c(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccco2)c1
InChIInChI=1S/C27H32N4O5/c1-17-10-11-18(2)21(15-17)31(25(33)13-12-24(32)29-23-16-19(3)36-30-23)26(22-9-6-14-35-22)27(34)28-20-7-4-5-8-20/h6,9-11,14-16,20,26H,4-5,7-8,12-13H2,1-3H3,(H,28,34)(H,29,30,32)
InChIKeyFKOIYMOYCMAJCP-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.74
Rot. Bonds9

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

N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 648446) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID648446
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC NameN'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1ccc(C)c(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccco2)c1
InChIInChI=1S/C27H32N4O5/c1-17-10-11-18(2)21(15-17)31(25(33)13-12-24(32)29-23-16-19(3)36-30-23)26(22-9-6-14-35-22)27(34)28-20-7-4-5-8-20/h6,9-11,14-16,20,26H,4-5,7-8,12-13H2,1-3H3,(H,28,34)(H,29,30,32)
InChIKeyFKOIYMOYCMAJCP-UHFFFAOYSA-N
XLogP4.74
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 648446) is N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is Cc1ccc(C)c(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccco2)c1.
What is the InChIKey of N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is FKOIYMOYCMAJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-17-10-11-18(2)21(15-17)31(25(33)13-12-24(32)29-23-16-19(3)36-30-23)26(22-9-6-14-35-22)27(34)28-20-7-4-5-8-20/h6,9-11,14-16,20,26H,4-5,7-8,12-13H2,1-3H3,(H,28,34)(H,29,30,32).
What are the key properties of N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 492.58 g/mol, XLogP of 4.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N'-(2,5-dimethylphenyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 648446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).