[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate

C20H30N2O4 — CID 8626203

IUPAC[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate
SMILESCC(C)NC(=O)CNC(=O)COC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H30N2O4/c1-14(2)22-17(23)12-21-18(24)13-26-19(25)11-8-15-6-9-16(10-7-15)20(3,4)5/h6-7,9-10,14H,8,11-13H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyUSNMGNNSGYBAKI-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.10
Rot. Bonds8

About [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate

[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate (PubChem CID 8626203) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate
PubChem CID8626203
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate
SMILESCC(C)NC(=O)CNC(=O)COC(=O)CCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H30N2O4/c1-14(2)22-17(23)12-21-18(24)13-26-19(25)11-8-15-6-9-16(10-7-15)20(3,4)5/h6-7,9-10,14H,8,11-13H2,1-5H3,(H,21,24)(H,22,23)
InChIKeyUSNMGNNSGYBAKI-UHFFFAOYSA-N
XLogP2.10
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301786
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8626175
[2-(4-acetylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8506747
[2-(2-methylanilino)-2-oxoethyl] 3-(4-tert-butylphenyl)propanoate
CID 8506708
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
CID 27743223
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(2-ethoxyphenyl)propanoate
CID 8648612
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3,3-diphenylpropanoate
CID 9289846
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(4-tert-butylphenoxy)propanoate
CID 8984743
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920438
[2-(4-tert-butylanilino)-2-oxoethyl] 3-(3,4-dimethoxyphenyl)propanoate
CID 40628747
N-(1-amino-2-methylpropan-2-yl)-3-(4-tert-butylphenyl)propanamide
CID 119522264

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate (CID 8626203) is [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate is CC(C)NC(=O)CNC(=O)COC(=O)CCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate?
The InChIKey is USNMGNNSGYBAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-14(2)22-17(23)12-21-18(24)13-26-19(25)11-8-15-6-9-16(10-7-15)20(3,4)5/h6-7,9-10,14H,8,11-13H2,1-5H3,(H,21,24)(H,22,23).
What are the key properties of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate?
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate has a molecular weight of 362.47 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate is sourced from PubChem (CID 8626203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).