[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate

C18H24N2O5 — CID 2603445

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H24N2O5/c1-12(2)25-15-9-7-13(8-10-15)17(22)24-11-16(21)20-18(23)19-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyIHUABAOTNXXYSO-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.40
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate (PubChem CID 2603445) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
PubChem CID2603445
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate
SMILESCC(C)Oc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C18H24N2O5/c1-12(2)25-15-9-7-13(8-10-15)17(22)24-11-16(21)20-18(23)19-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H2,19,20,21,23)
InChIKeyIHUABAOTNXXYSO-UHFFFAOYSA-N
XLogP2.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-[(tert-butylcarbamoyl)methoxy]benzoate
CID 2495631
2-(4-acetylphenoxy)-N-cycloheptylacetamide
CID 2125230
[2-(Cyclopentylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2337903
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CID 2434464
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2475788
Methyl 2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]propanoate
CID 4877144
Methyl 4-[2-(cycloheptylamino)-2-oxoethoxy]benzoate
CID 6459430
[2-(Cyclopentylamino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840249
[2-(Cyclopentylamino)-2-oxoethyl] 3-(2-methoxyphenyl)propanoate
CID 8524336
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-fluoro-4-methoxybenzoate
CID 16299434
4-[4-(Cyclohexylcarbamoylamino)cyclohexyl]oxybenzoic acid
CID 145315259
[2-(Tert-butylcarbamoylamino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2128451

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate (CID 2603445) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate is CC(C)Oc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
The InChIKey is IHUABAOTNXXYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(2)25-15-9-7-13(8-10-15)17(22)24-11-16(21)20-18(23)19-14-5-3-4-6-14/h7-10,12,14H,3-6,11H2,1-2H3,(H2,19,20,21,23).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate has a molecular weight of 348.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-propan-2-yloxybenzoate is sourced from PubChem (CID 2603445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).