[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

C23H21N3O5 — CID 7854604

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O5/c1-26-13-5-8-19(26)23(30)25-20(27)15-31-21(28)14-24-22(29)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,24,29)(H,25,27,30)
InChIKeyLVLLRRKZKQHNAD-UHFFFAOYSA-N
MW419.44 g/mol
LogP1.92
Rot. Bonds7

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (PubChem CID 7854604) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
PubChem CID7854604
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O5/c1-26-13-5-8-19(26)23(30)25-20(27)15-31-21(28)14-24-22(29)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,24,29)(H,25,27,30)
InChIKeyLVLLRRKZKQHNAD-UHFFFAOYSA-N
XLogP1.92
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate with MolForge

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Related Compounds

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate
CID 7889613
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921273
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2547797
[2-(dimethylamino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8834418
[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854675
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-iodobenzoate
CID 2642847
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854029
[2-[bis[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492415
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 35576363
[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 4844360

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate (CID 7854604) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is Cn1cccc1C(=O)NC(=O)COC(=O)CNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
The InChIKey is LVLLRRKZKQHNAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-26-13-5-8-19(26)23(30)25-20(27)15-31-21(28)14-24-22(29)18-11-9-17(10-12-18)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3,(H,24,29)(H,25,27,30).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate has a molecular weight of 419.44 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate is sourced from PubChem (CID 7854604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).