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

C27H30N4O4 — CID 3210707

IUPACN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(c2ccccc2)C(C(=O)NC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C27H30N4O4/c1-19-18-23(30-35-19)29-24(32)16-17-25(33)31(22-14-6-3-7-15-22)26(20-10-4-2-5-11-20)27(34)28-21-12-8-9-13-21/h2-7,10-11,14-15,18,21,26H,8-9,12-13,16-17H2,1H3,(H,28,34)(H,29,30,32)
InChIKeyRRQRFWPAHXDDNU-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.54
Rot. Bonds9

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

N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide (PubChem CID 3210707) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide.

Molecular Properties

Compound NameN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide
PubChem CID3210707
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC NameN'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide
SMILESCc1cc(NC(=O)CCC(=O)N(c2ccccc2)C(C(=O)NC2CCCC2)c2ccccc2)no1
InChIInChI=1S/C27H30N4O4/c1-19-18-23(30-35-19)29-24(32)16-17-25(33)31(22-14-6-3-7-15-22)26(20-10-4-2-5-11-20)27(34)28-21-12-8-9-13-21/h2-7,10-11,14-15,18,21,26H,8-9,12-13,16-17H2,1H3,(H,28,34)(H,29,30,32)
InChIKeyRRQRFWPAHXDDNU-UHFFFAOYSA-N
XLogP4.54
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953837
Cim-0216
CID 42887770
3-(5-Methyl-1,2-oxazol-3-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924386
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 884750
1-(2-Ethyl-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid (5-methyl-isoxazol-3-yl)-amide
CID 3160077
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 707003
(2S)-1-benzoyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46872383
(2S)-1-benzyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46873411
N-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenyl)-2-phenylacetamide
CID 46883324
(2R)-N-(5-tert-butyl-1,2-oxazol-3-yl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 67953838
N-(Cyclopentylcarbamoyl-pyridin-4-yl-methyl)-N'-(5-methyl-isoxazol-3-yl)-N-p-tolyl-succinamide
CID 645638
N-(2,4-Dimethyl-phenyl)-N-[(2-methoxy-ethylcarbamoyl)-methyl]-N'-(5-methyl-isoxazol-3-yl)-succinamide
CID 647551

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'-phenylbutanediamide?
The IUPAC name of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide (CID 3210707) is N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide.
What is the SMILES notation for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide?
The canonical SMILES for N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide is Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)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'-phenylbutanediamide?
The InChIKey is RRQRFWPAHXDDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-19-18-23(30-35-19)29-24(32)16-17-25(33)31(22-14-6-3-7-15-22)26(20-10-4-2-5-11-20)27(34)28-21-12-8-9-13-21/h2-7,10-11,14-15,18,21,26H,8-9,12-13,16-17H2,1H3,(H,28,34)(H,29,30,32).
What are the key properties of N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide?
N'-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(5-methyl-1,2-oxazol-3-yl)-N'-phenylbutanediamide has a molecular weight of 474.56 g/mol, XLogP of 4.54, 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'-phenylbutanediamide is sourced from PubChem (CID 3210707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).