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

C27H32N4O5 — CID 3210679

IUPACN'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccc(C)o2)no1
InChIInChI=1S/C27H32N4O5/c1-18-12-13-22(35-18)26(27(34)28-21-10-6-7-11-21)31(17-20-8-4-3-5-9-20)25(33)15-14-24(32)29-23-16-19(2)36-30-23/h3-5,8-9,12-13,16,21,26H,6-7,10-11,14-15,17H2,1-2H3,(H,28,34)(H,29,30,32)
InChIKeyMBNSAVOHPVFZDM-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.43
Rot. Bonds10

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

N'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (PubChem CID 3210679) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is N'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide.

Molecular Properties

Compound NameN'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
PubChem CID3210679
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC NameN'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(Cc2ccccc2)C(C(=O)NC2CCCC2)c2ccc(C)o2)no1
InChIInChI=1S/C27H32N4O5/c1-18-12-13-22(35-18)26(27(34)28-21-10-6-7-11-21)31(17-20-8-4-3-5-9-20)25(33)15-14-24(32)29-23-16-19(2)36-30-23/h3-5,8-9,12-13,16,21,26H,6-7,10-11,14-15,17H2,1-2H3,(H,28,34)(H,29,30,32)
InChIKeyMBNSAVOHPVFZDM-UHFFFAOYSA-N
XLogP4.43
TPSA117.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.43
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-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The IUPAC name of N'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide (CID 3210679) is N'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-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-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The canonical SMILES for N'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-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)c2ccc(C)o2)no1.
What is the InChIKey of N'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
The InChIKey is MBNSAVOHPVFZDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-18-12-13-22(35-18)26(27(34)28-21-10-6-7-11-21)31(17-20-8-4-3-5-9-20)25(33)15-14-24(32)29-23-16-19(2)36-30-23/h3-5,8-9,12-13,16,21,26H,6-7,10-11,14-15,17H2,1-2H3,(H,28,34)(H,29,30,32).
What are the key properties of N'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide?
N'-benzyl-N'-[2-(cyclopentylamino)-1-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide has a molecular weight of 492.58 g/mol, XLogP of 4.43, 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-(5-methylfuran-2-yl)-2-oxoethyl]-N-(5-methyl-1,2-oxazol-3-yl)butanediamide is sourced from PubChem (CID 3210679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).