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

C18H26N2O5 — CID 2650749

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1cc(C(C)C)cc(C(C)C)c1O
InChIInChI=1S/C18H26N2O5/c1-6-19-18(24)20-15(21)9-25-17(23)14-8-12(10(2)3)7-13(11(4)5)16(14)22/h7-8,10-11,22H,6,9H2,1-5H3,(H2,19,20,21,24)
InChIKeyAZPRDQIZOPSKCR-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.64
Rot. Bonds6

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

[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (PubChem CID 2650749) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
PubChem CID2650749
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
SMILESCCNC(=O)NC(=O)COC(=O)c1cc(C(C)C)cc(C(C)C)c1O
InChIInChI=1S/C18H26N2O5/c1-6-19-18(24)20-15(21)9-25-17(23)14-8-12(10(2)3)7-13(11(4)5)16(14)22/h7-8,10-11,22H,6,9H2,1-5H3,(H2,19,20,21,24)
InChIKeyAZPRDQIZOPSKCR-UHFFFAOYSA-N
XLogP2.64
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531108
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 4681469
[2-oxo-2-(prop-2-enylamino)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531107
[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 18078321
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8809094
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8809104
[2-oxo-2-(2,3,5,6-tetramethylphenyl)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8828538
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate
CID 8561645
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771432
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-methylsulfanylbenzoate
CID 2540064
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149238
[2-(ethylcarbamoylamino)-2-oxoethyl] 2,4-difluorobenzoate
CID 2554887

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate (CID 2650749) is [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate is CCNC(=O)NC(=O)COC(=O)c1cc(C(C)C)cc(C(C)C)c1O.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
The InChIKey is AZPRDQIZOPSKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-6-19-18(24)20-15(21)9-25-17(23)14-8-12(10(2)3)7-13(11(4)5)16(14)22/h7-8,10-11,22H,6,9H2,1-5H3,(H2,19,20,21,24).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate has a molecular weight of 350.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate is sourced from PubChem (CID 2650749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).