[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate

C20H26ClN3O5 — CID 55307018

IUPAC[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H26ClN3O5/c1-12(22-18(26)15-10-6-7-11-16(15)21)19(27)29-13(2)17(25)24-20(28)23-14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,22,26)(H2,23,24,25,28)
InChIKeyIHKMCFUOLZYGFD-UHFFFAOYSA-N
MW423.90 g/mol
LogP2.55
Rot. Bonds6

About [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate (PubChem CID 55307018) has the molecular formula C20H26ClN3O5 and a molecular weight of 423.90 g/mol. Its IUPAC name is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate.

Molecular Properties

Compound Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
PubChem CID55307018
Molecular FormulaC20H26ClN3O5
Molecular Weight423.90 g/mol
Exact Mass423.16
IUPAC Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C20H26ClN3O5/c1-12(22-18(26)15-10-6-7-11-16(15)21)19(27)29-13(2)17(25)24-20(28)23-14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,22,26)(H2,23,24,25,28)
InChIKeyIHKMCFUOLZYGFD-UHFFFAOYSA-N
XLogP2.55
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate with MolForge

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Related Compounds

[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dichlorobenzoate
CID 7722733
[(2S)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 8738158
(2S)-2-(2-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7815946
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821719
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821721
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-bromobenzoate
CID 7476830
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373032
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 7373033
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 7570790
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11927258
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323799
(2R)-2-(4-chlorophenoxy)-N-(cyclohexylcarbamoyl)propanamide
CID 7816268

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate?
The IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate (CID 55307018) is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate.
What is the SMILES notation for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate?
The canonical SMILES for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate is CC(NC(=O)c1ccccc1Cl)C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate?
The InChIKey is IHKMCFUOLZYGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O5/c1-12(22-18(26)15-10-6-7-11-16(15)21)19(27)29-13(2)17(25)24-20(28)23-14-8-4-3-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,22,26)(H2,23,24,25,28).
What are the key properties of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate?
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate has a molecular weight of 423.90 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorobenzoyl)amino]propanoate is sourced from PubChem (CID 55307018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).