[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate

C21H30N2O5 — CID 4681469

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCC(C)c1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c(O)c(C(C)C)c1
InChIInChI=1S/C21H30N2O5/c1-12(2)14-9-16(13(3)4)19(25)17(10-14)20(26)28-11-18(24)23-21(27)22-15-7-5-6-8-15/h9-10,12-13,15,25H,5-8,11H2,1-4H3,(H2,22,23,24,27)
InChIKeyZSURAXJYDILQTF-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.56
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (PubChem CID 4681469) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
PubChem CID4681469
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCC(C)c1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c(O)c(C(C)C)c1
InChIInChI=1S/C21H30N2O5/c1-12(2)14-9-16(13(3)4)19(25)17(10-14)20(26)28-11-18(24)23-21(27)22-15-7-5-6-8-15/h9-10,12-13,15,25H,5-8,11H2,1-4H3,(H2,22,23,24,27)
InChIKeyZSURAXJYDILQTF-UHFFFAOYSA-N
XLogP3.56
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2650749
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771385
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 2648611
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 3939967
N-(cyclohexylcarbamoyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 7707104
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8620254
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1-hydroxynaphthalene-2-carboxylate
CID 7890943
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149210
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567304
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2634309
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-hydroxybenzoate
CID 7797585
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8596658

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (CID 4681469) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate is CC(C)c1cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c(O)c(C(C)C)c1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The InChIKey is ZSURAXJYDILQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-12(2)14-9-16(13(3)4)19(25)17(10-14)20(26)28-11-18(24)23-21(27)22-15-7-5-6-8-15/h9-10,12-13,15,25H,5-8,11H2,1-4H3,(H2,22,23,24,27).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate has a molecular weight of 390.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate is sourced from PubChem (CID 4681469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).