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

C15H16BrN3O5 — CID 9364173

IUPAC[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NC(=O)NC1CC1
InChIInChI=1S/C15H16BrN3O5/c16-10-3-1-9(2-4-10)14(22)17-7-13(21)24-8-12(20)19-15(23)18-11-5-6-11/h1-4,11H,5-8H2,(H,17,22)(H2,18,19,20,23)
InChIKeyDKHKYYJNQYLLOX-UHFFFAOYSA-N
MW398.21 g/mol
LogP0.71
Rot. Bonds6

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

[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 9364173) has the molecular formula C15H16BrN3O5 and a molecular weight of 398.21 g/mol. Its IUPAC name is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID9364173
Molecular FormulaC15H16BrN3O5
Molecular Weight398.21 g/mol
Exact Mass397.03
IUPAC Name[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NC(=O)NC1CC1
InChIInChI=1S/C15H16BrN3O5/c16-10-3-1-9(2-4-10)14(22)17-7-13(21)24-8-12(20)19-15(23)18-11-5-6-11/h1-4,11H,5-8H2,(H,17,22)(H2,18,19,20,23)
InChIKeyDKHKYYJNQYLLOX-UHFFFAOYSA-N
XLogP0.71
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.21
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 55317696
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643140
[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880563
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 3657721
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 18204446
4-bromo-N-[2-(cyclopropylcarbamoylamino)ethyl]benzamide
CID 47322636
[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 46789755
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880469
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307465
[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 46791737

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate (CID 9364173) is [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Br)cc1)NC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is DKHKYYJNQYLLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O5/c16-10-3-1-9(2-4-10)14(22)17-7-13(21)24-8-12(20)19-15(23)18-11-5-6-11/h1-4,11H,5-8H2,(H,17,22)(H2,18,19,20,23).
What are the key properties of [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate?
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 398.21 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 9364173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).