N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide

C28H32N4O4 — CID 3210709

IUPACN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide
SMILESCc1cccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccccc2)c1
InChIInChI=1S/C28H32N4O4/c1-19-9-8-14-23(17-19)32(26(34)16-15-25(33)30-24-18-20(2)36-31-24)27(21-10-4-3-5-11-21)28(35)29-22-12-6-7-13-22/h3-5,8-11,14,17-18,22,27H,6-7,12-13,15-16H2,1-2H3,(H,29,35)(H,30,31,33)
InChIKeyJHBHTQRYWVLNOF-UHFFFAOYSA-N
MW488.59 g/mol
LogP4.84
Rot. Bonds9

About N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide

N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide (PubChem CID 3210709) has the molecular formula C28H32N4O4 and a molecular weight of 488.59 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide
PubChem CID3210709
Molecular FormulaC28H32N4O4
Molecular Weight488.59 g/mol
Exact Mass488.24
IUPAC NameN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide
SMILESCc1cccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccccc2)c1
InChIInChI=1S/C28H32N4O4/c1-19-9-8-14-23(17-19)32(26(34)16-15-25(33)30-24-18-20(2)36-31-24)27(21-10-4-3-5-11-21)28(35)29-22-12-6-7-13-22/h3-5,8-11,14,17-18,22,27H,6-7,12-13,15-16H2,1-2H3,(H,29,35)(H,30,31,33)
InChIKeyJHBHTQRYWVLNOF-UHFFFAOYSA-N
XLogP4.84
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.59
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide (CID 3210709) is N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide is Cc1cccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccccc2)c1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide?
The InChIKey is JHBHTQRYWVLNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-19-9-8-14-23(17-19)32(26(34)16-15-25(33)30-24-18-20(2)36-31-24)27(21-10-4-3-5-11-21)28(35)29-22-12-6-7-13-22/h3-5,8-11,14,17-18,22,27H,6-7,12-13,15-16H2,1-2H3,(H,29,35)(H,30,31,33).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide?
N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide has a molecular weight of 488.59 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(3-methylphenyl)butanediamide is sourced from PubChem (CID 3210709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).