[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate

C23H25N3O5 — CID 46661496

IUPAC[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C23H25N3O5/c27-19(25-23(30)24-18-13-7-8-14-18)15-31-22(29)20(16-9-3-1-4-10-16)26-21(28)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2,(H,26,28)(H2,24,25,27,30)
InChIKeyUFELIHDVZRZQAD-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.47
Rot. Bonds7

About [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate (PubChem CID 46661496) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate.

Molecular Properties

Compound Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
PubChem CID46661496
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC Name[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate
SMILESO=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)NC(=O)NC1CCCC1
InChIInChI=1S/C23H25N3O5/c27-19(25-23(30)24-18-13-7-8-14-18)15-31-22(29)20(16-9-3-1-4-10-16)26-21(28)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2,(H,26,28)(H2,24,25,27,30)
InChIKeyUFELIHDVZRZQAD-UHFFFAOYSA-N
XLogP2.47
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2,2-diphenylacetate
CID 7749935
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 3,3-diphenylpropanoate
CID 7795325
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate
CID 7842805
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772661
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772669
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate
CID 7132649
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 55324727
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882621
benzyl N-[(1R)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267835
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413621
[2-oxo-2-(pentylamino)ethyl] 2-benzamido-2-phenylacetate
CID 55459412

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
The IUPAC name of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate (CID 46661496) is [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate.
What is the SMILES notation for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
The canonical SMILES for [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate is O=C(COC(=O)C(NC(=O)c1ccccc1)c1ccccc1)NC(=O)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
The InChIKey is UFELIHDVZRZQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c27-19(25-23(30)24-18-13-7-8-14-18)15-31-22(29)20(16-9-3-1-4-10-16)26-21(28)17-11-5-2-6-12-17/h1-6,9-12,18,20H,7-8,13-15H2,(H,26,28)(H2,24,25,27,30).
What are the key properties of [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate?
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-benzamido-2-phenylacetate has a molecular weight of 423.47 g/mol, XLogP of 2.47, 7 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-benzamido-2-phenylacetate is sourced from PubChem (CID 46661496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).