[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate

C18H22BrN3O5 — CID 18204446

IUPAC[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C18H22BrN3O5/c1-11(16(24)22-18(26)21-14-4-2-3-5-14)27-15(23)10-20-17(25)12-6-8-13(19)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,20,25)(H2,21,22,24,26)
InChIKeyVKJXXHYPTXLQKV-UHFFFAOYSA-N
MW440.29 g/mol
LogP1.88
Rot. Bonds6

About [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate (PubChem CID 18204446) has the molecular formula C18H22BrN3O5 and a molecular weight of 440.29 g/mol. Its IUPAC name is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
PubChem CID18204446
Molecular FormulaC18H22BrN3O5
Molecular Weight440.29 g/mol
Exact Mass439.07
IUPAC Name[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)NC(=O)NC1CCCC1
InChIInChI=1S/C18H22BrN3O5/c1-11(16(24)22-18(26)21-14-4-2-3-5-14)27-15(23)10-20-17(25)12-6-8-13(19)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,20,25)(H2,21,22,24,26)
InChIKeyVKJXXHYPTXLQKV-UHFFFAOYSA-N
XLogP1.88
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate with MolForge

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Related Compounds

[1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate
CID 46789755
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46617772
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883338
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 55317696
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 40674066
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 3-[(4-bromobenzoyl)amino]propanoate
CID 8574591
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788329
(2S)-2-(4-bromophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815645
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364173
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-(3-bromophenoxy)acetate
CID 37290830
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643140
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833361

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate?
The IUPAC name of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate (CID 18204446) is [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate.
What is the SMILES notation for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate?
The canonical SMILES for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate is CC(OC(=O)CNC(=O)c1ccc(Br)cc1)C(=O)NC(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate?
The InChIKey is VKJXXHYPTXLQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O5/c1-11(16(24)22-18(26)21-14-4-2-3-5-14)27-15(23)10-20-17(25)12-6-8-13(19)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,20,25)(H2,21,22,24,26).
What are the key properties of [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate?
[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate has a molecular weight of 440.29 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-bromobenzoyl)amino]acetate is sourced from PubChem (CID 18204446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).