[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate

C19H28N2O4 — CID 8561645

IUPAC[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate
SMILESCCNC(=O)CNC(=O)COC(=O)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H28N2O4/c1-6-20-17(22)10-21-18(23)11-25-19(24)15-8-7-14(12(2)3)9-16(15)13(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeySAUNEMDCIUVUDN-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.34
Rot. Bonds8

About [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate

[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate (PubChem CID 8561645) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate.

Molecular Properties

Compound Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate
PubChem CID8561645
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate
SMILESCCNC(=O)CNC(=O)COC(=O)c1ccc(C(C)C)cc1C(C)C
InChIInChI=1S/C19H28N2O4/c1-6-20-17(22)10-21-18(23)11-25-19(24)15-8-7-14(12(2)3)9-16(15)13(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,20,22)(H,21,23)
InChIKeySAUNEMDCIUVUDN-UHFFFAOYSA-N
XLogP2.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate with MolForge

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Related Compounds

[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate
CID 8561648
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 8806757
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2650749
[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531108
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289524
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962
[2-(ethylamino)-2-oxoethyl] 2-[2-(ethylamino)-2-oxoethyl]sulfanylbenzoate
CID 2591123
[2-oxo-2-(prop-2-enylamino)ethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531107
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 9348364
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-propoxybenzoate
CID 8842622
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-propan-2-ylbenzoate
CID 9019884
1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate?
The IUPAC name of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate (CID 8561645) is [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate.
What is the SMILES notation for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate?
The canonical SMILES for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate is CCNC(=O)CNC(=O)COC(=O)c1ccc(C(C)C)cc1C(C)C.
What is the InChIKey of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate?
The InChIKey is SAUNEMDCIUVUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-6-20-17(22)10-21-18(23)11-25-19(24)15-8-7-14(12(2)3)9-16(15)13(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate?
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate has a molecular weight of 348.44 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2,4-di(propan-2-yl)benzoate is sourced from PubChem (CID 8561645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).