[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate

C17H17N3O5 — CID 7889613

IUPAC[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C17H17N3O5/c1-20-9-5-8-13(20)17(24)19-14(21)11-25-15(22)10-18-16(23)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,18,23)(H,19,21,24)
InChIKeyUZMKXSNZZCKQGN-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.25
Rot. Bonds6

About [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate (PubChem CID 7889613) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate
PubChem CID7889613
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate
SMILESCn1cccc1C(=O)NC(=O)COC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C17H17N3O5/c1-20-9-5-8-13(20)17(24)19-14(21)11-25-15(22)10-18-16(23)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,18,23)(H,19,21,24)
InChIKeyUZMKXSNZZCKQGN-UHFFFAOYSA-N
XLogP0.25
TPSA106.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 7854604
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 2547797
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854029
(2-methoxy-2-oxoethyl) 2-benzamidoacetate
CID 24647854
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 4-iodobenzoate
CID 2642847
(2-benzamido-2-oxoethyl) 2-[(2-iodobenzoyl)amino]acetate
CID 55307473
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
(2-benzamido-2-oxoethyl) 2-(furan-2-carbonylamino)acetate
CID 7879888
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(4-bromophenyl)sulfanylacetate
CID 7903177
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 7175203
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate (CID 7889613) is [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate is Cn1cccc1C(=O)NC(=O)COC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is UZMKXSNZZCKQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-20-9-5-8-13(20)17(24)19-14(21)11-25-15(22)10-18-16(23)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3,(H,18,23)(H,19,21,24).
What are the key properties of [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate?
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 343.34 g/mol, XLogP of 0.25, 6 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-benzamidoacetate is sourced from PubChem (CID 7889613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).