[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

C17H20BrN3O5 — CID 55317696

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H20BrN3O5/c18-12-7-5-11(6-8-12)16(24)19-9-15(23)26-10-14(22)21-17(25)20-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,19,24)(H2,20,21,22,25)
InChIKeyIIJNBVVAEVAJSO-UHFFFAOYSA-N
MW426.27 g/mol
LogP1.49
Rot. Bonds6

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 55317696) has the molecular formula C17H20BrN3O5 and a molecular weight of 426.27 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID55317696
Molecular FormulaC17H20BrN3O5
Molecular Weight426.27 g/mol
Exact Mass425.06
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NC(=O)NC1CCCC1
InChIInChI=1S/C17H20BrN3O5/c18-12-7-5-11(6-8-12)16(24)19-9-15(23)26-10-14(22)21-17(25)20-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,19,24)(H2,20,21,22,25)
InChIKeyIIJNBVVAEVAJSO-UHFFFAOYSA-N
XLogP1.49
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.27
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364173
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643140
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 3657721
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 18204446
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307465
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 46791737
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807760
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate
CID 7486431
[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880563
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-amino-5-bromobenzoate
CID 7149210
[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364264

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (CID 55317696) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is IIJNBVVAEVAJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O5/c18-12-7-5-11(6-8-12)16(24)19-9-15(23)26-10-14(22)21-17(25)20-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,19,24)(H2,20,21,22,25).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 426.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 55317696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).