[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

C24H30N2O5 — CID 7858566

IUPAC[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)NC1CCCCCCC1
InChIInChI=1S/C24H30N2O5/c27-22(25-19-12-7-2-1-3-8-13-19)17-31-24(29)20(16-18-10-5-4-6-11-18)26-23(28)21-14-9-15-30-21/h4-6,9-11,14-15,19-20H,1-3,7-8,12-13,16-17H2,(H,25,27)(H,26,28)/t20-/m0/s1
InChIKeyNJXKUINVOSTOCP-FQEVSTJZSA-N
MW426.51 g/mol
LogP3.39
Rot. Bonds8

About [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate

[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 7858566) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Name[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID7858566
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESO=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)NC1CCCCCCC1
InChIInChI=1S/C24H30N2O5/c27-22(25-19-12-7-2-1-3-8-13-19)17-31-24(29)20(16-18-10-5-4-6-11-18)26-23(28)21-14-9-15-30-21/h4-6,9-11,14-15,19-20H,1-3,7-8,12-13,16-17H2,(H,25,27)(H,26,28)/t20-/m0/s1
InChIKeyNJXKUINVOSTOCP-FQEVSTJZSA-N
XLogP3.39
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[2-(1,2-diphenylethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55929358
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880332
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55358067
N-[1-oxo-3-phenyl-1-(piperidin-4-ylamino)propan-2-yl]furan-2-carboxamide
CID 119388874
[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55926961
[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55925612
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 2398164
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-methylbutanoate
CID 7566376

Frequently Asked Questions

What is the IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 7858566) is [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is O=C(COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)NC1CCCCCCC1.
What is the InChIKey of [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is NJXKUINVOSTOCP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H30N2O5/c27-22(25-19-12-7-2-1-3-8-13-19)17-31-24(29)20(16-18-10-5-4-6-11-18)26-23(28)21-14-9-15-30-21/h4-6,9-11,14-15,19-20H,1-3,7-8,12-13,16-17H2,(H,25,27)(H,26,28)/t20-/m0/s1.
What are the key properties of [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate?
[2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 426.51 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclooctylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 7858566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).