[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate

C26H31N3O5 — CID 42970740

IUPAC[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate
SMILESCC(OC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C26H31N3O5/c1-18(24(31)29-26(33)27-21-15-9-4-10-16-21)34-23(30)17-22(19-11-5-2-6-12-19)28-25(32)20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21-22H,4,9-10,15-17H2,1H3,(H,28,32)(H2,27,29,31,33)
InChIKeyCXJRRSSGKOKKGU-UHFFFAOYSA-N
MW465.55 g/mol
LogP3.64
Rot. Bonds8

About [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate

[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate (PubChem CID 42970740) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate
PubChem CID42970740
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate
SMILESCC(OC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)C(=O)NC(=O)NC1CCCCC1
InChIInChI=1S/C26H31N3O5/c1-18(24(31)29-26(33)27-21-15-9-4-10-16-21)34-23(30)17-22(19-11-5-2-6-12-19)28-25(32)20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21-22H,4,9-10,15-17H2,1H3,(H,28,32)(H2,27,29,31,33)
InChIKeyCXJRRSSGKOKKGU-UHFFFAOYSA-N
XLogP3.64
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate with MolForge

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Related Compounds

[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821719
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
CID 46825007
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874778
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821721
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylacetate
CID 7874780
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 7132735
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132649
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] (3R)-3-benzamido-3-phenylpropanoate
CID 8734827
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46789478
[(2S)-1-(2-benzoylhydrazinyl)-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 8939651
[(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951287

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate?
The IUPAC name of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate (CID 42970740) is [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate.
What is the SMILES notation for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate?
The canonical SMILES for [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate is CC(OC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)C(=O)NC(=O)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate?
The InChIKey is CXJRRSSGKOKKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5/c1-18(24(31)29-26(33)27-21-15-9-4-10-16-21)34-23(30)17-22(19-11-5-2-6-12-19)28-25(32)20-13-7-3-8-14-20/h2-3,5-8,11-14,18,21-22H,4,9-10,15-17H2,1H3,(H,28,32)(H2,27,29,31,33).
What are the key properties of [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate?
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate has a molecular weight of 465.55 g/mol, XLogP of 3.64, 8 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] 3-benzamido-3-phenylpropanoate is sourced from PubChem (CID 42970740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).