6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide

C21H28N2O2 — CID 123245873

IUPAC6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1COC(CCC2=CC=CCC2)CN1
InChIInChI=1S/C21H28N2O2/c24-21(22-14-13-18-9-5-2-6-10-18)20-16-25-19(15-23-20)12-11-17-7-3-1-4-8-17/h1-3,5-7,9-10,19-20,23H,4,8,11-16H2,(H,22,24)
InChIKeyPNNYOHMXCNZZMN-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.76
Rot. Bonds7

About 6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide

6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide (PubChem CID 123245873) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide.

Molecular Properties

Compound Name6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide
PubChem CID123245873
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide
SMILESO=C(NCCc1ccccc1)C1COC(CCC2=CC=CCC2)CN1
InChIInChI=1S/C21H28N2O2/c24-21(22-14-13-18-9-5-2-6-10-18)20-16-25-19(15-23-20)12-11-17-7-3-1-4-8-17/h1-3,5-7,9-10,19-20,23H,4,8,11-16H2,(H,22,24)
InChIKeyPNNYOHMXCNZZMN-UHFFFAOYSA-N
XLogP2.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-N,4-N-bis(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961382
2-cyclohexa-1,3-dien-1-ylethylbenzene;ethane;hydroiodide
CID 142152565
6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2900767
2-phenylethylcarbamothioic S-acid
CID 11116669
4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 126622634
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
N-[2-(4-benzoylphenyl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110667340
(3S,5S)-5-(4-phenylbutylcarbamoyl)pyrrolidine-3-sulfonic acid
CID 162205045
2-morpholin-2-yl-N-(2-phenylethyl)acetamide
CID 66434342
(2S)-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 14234527
cis-(1R,2S)-2-hydroxy-N-(2-phenylethyl)cyclohexane-1-carboxamide
CID 13313986
N-[2-(3-fluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43566272

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide?
The IUPAC name of 6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide (CID 123245873) is 6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide.
What is the SMILES notation for 6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide?
The canonical SMILES for 6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide is O=C(NCCc1ccccc1)C1COC(CCC2=CC=CCC2)CN1.
What is the InChIKey of 6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide?
The InChIKey is PNNYOHMXCNZZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c24-21(22-14-13-18-9-5-2-6-10-18)20-16-25-19(15-23-20)12-11-17-7-3-1-4-8-17/h1-3,5-7,9-10,19-20,23H,4,8,11-16H2,(H,22,24).
What are the key properties of 6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide?
6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclohexa-1,3-dien-1-ylethyl)-N-(2-phenylethyl)morpholine-3-carboxamide is sourced from PubChem (CID 123245873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).