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

C28H32N4O4 — CID 3210708

IUPACN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylphenyl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(c2ccccc2C)C(C(=O)NC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C28H32N4O4/c1-19-10-6-9-15-23(19)32(26(34)17-16-25(33)30-24-18-20(2)36-31-24)27(21-11-4-3-5-12-21)28(35)29-22-13-7-8-14-22/h3-6,9-12,15,18,22,27H,7-8,13-14,16-17H2,1-2H3,(H,29,35)(H,30,31,33)
InChIKeySLCBIJHMFKCDMP-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'-(2-methylphenyl)butanediamide

N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylphenyl)butanediamide (PubChem CID 3210708) 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'-(2-methylphenyl)butanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylphenyl)butanediamide
PubChem CID3210708
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'-(2-methylphenyl)butanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(c2ccccc2C)C(C(=O)NC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C28H32N4O4/c1-19-10-6-9-15-23(19)32(26(34)17-16-25(33)30-24-18-20(2)36-31-24)27(21-11-4-3-5-12-21)28(35)29-22-13-7-8-14-22/h3-6,9-12,15,18,22,27H,7-8,13-14,16-17H2,1-2H3,(H,29,35)(H,30,31,33)
InChIKeySLCBIJHMFKCDMP-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

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

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Related Compounds

Cim-0216
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N-(Cyclopentylcarbamoyl-pyridin-4-yl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-p-tolyl-succinamide
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N-(2,4-Dimethyl-phenyl)-N-[(2-methoxy-ethylcarbamoyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide
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CID 648712
N-(1-Cyclohexylcarbamoyl-cyclopentyl)-N'-(5-methyl-isoxazol-3-yl)-N-phenyl-succinamide
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N-Cyclopentylcarbamoylmethyl-N-(4-fluoro-benzyl)-N'-(5-methyl-isoxazol-3-yl)-succinamide
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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'-(2-methylphenyl)butanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylphenyl)butanediamide (CID 3210708) is N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylphenyl)butanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylphenyl)butanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylphenyl)butanediamide is Cc1cc(NC(=O)CCC(=O)N(c2ccccc2C)C(C(=O)NC2CCCC2)c2ccccc2)no1.
What is the InChIKey of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-methylphenyl)butanediamide?
The InChIKey is SLCBIJHMFKCDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O4/c1-19-10-6-9-15-23(19)32(26(34)17-16-25(33)30-24-18-20(2)36-31-24)27(21-11-4-3-5-12-21)28(35)29-22-13-7-8-14-22/h3-6,9-12,15,18,22,27H,7-8,13-14,16-17H2,1-2H3,(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'-(2-methylphenyl)butanediamide?
N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-(2-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'-(2-methylphenyl)butanediamide is sourced from PubChem (CID 3210708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).