[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate

C22H25N3O5 — CID 9492425

IUPAC[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCC(C)NC(=O)CNC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O5/c1-15(2)25-19(26)12-23-20(27)14-30-21(28)13-24-22(29)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,24,29)(H,25,26)
InChIKeyBKYUWYXEHOULHK-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.27
Rot. Bonds9

About [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate

[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 9492425) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID9492425
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCC(C)NC(=O)CNC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H25N3O5/c1-15(2)25-19(26)12-23-20(27)14-30-21(28)13-24-22(29)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,24,29)(H,25,26)
InChIKeyBKYUWYXEHOULHK-UHFFFAOYSA-N
XLogP1.27
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921273
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 55366683
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3,3-diphenylpropanoate
CID 9289846
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 35576363
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854675
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854604
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921441
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-benzamidoacetate
CID 7783131

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 9492425) is [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate is CC(C)NC(=O)CNC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is BKYUWYXEHOULHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-15(2)25-19(26)12-23-20(27)14-30-21(28)13-24-22(29)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,23,27)(H,24,29)(H,25,26).
What are the key properties of [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 411.46 g/mol, XLogP of 1.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 9492425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).