2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate

C19H25NO3 — CID 162678587

IUPAC2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate
SMILESO=C(OCCN1CCOCC1)[C@]1(c2ccccc2)C=CCCC1
InChIInChI=1S/C19H25NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-5,7-9H,2,6,10-16H2/t19-/m1/s1
InChIKeyXBLBGCSAOMESSC-LJQANCHMSA-N
MW315.41 g/mol
LogP2.54
Rot. Bonds5

About 2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate

2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate (PubChem CID 162678587) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate
PubChem CID162678587
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate
SMILESO=C(OCCN1CCOCC1)[C@]1(c2ccccc2)C=CCCC1
InChIInChI=1S/C19H25NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-5,7-9H,2,6,10-16H2/t19-/m1/s1
InChIKeyXBLBGCSAOMESSC-LJQANCHMSA-N
XLogP2.54
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-ylethyl (1R)-1-phenylcyclohexa-2,4-diene-1-carboxylate
CID 162678589
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
N-(2-morpholin-4-ylethoxy)benzamide
CID 110642751
2-morpholin-4-ylethyl 2-phenylacetate;hydrate;hydrochloride
CID 23622530
2-morpholin-4-ylethyl 2-iodo-2-phenylacetate
CID 162508627
2-morpholin-4-ylethyl N-carbamoyl-N-phenylcarbamate
CID 23202915
2-morpholin-4-ylethyl 4-methylpiperidine-4-carboxylate;hydrochloride
CID 118522513
2-morpholin-4-ylethyl 2-iodobenzoate
CID 989917
2-morpholin-4-ylethyl N-(2,2-diphenylacetyl)carbamate
CID 54336575
2-morpholin-4-ylethyl 2-phenoxypyridine-4-carboxylate
CID 167823575
4-morpholin-4-ylbutan-2-yl 4-phenyloxane-4-carboxylate;hydrochloride
CID 126961345
2-morpholin-4-ylethyl 4-fluoro-3-(1-phenylcyclopentyl)oxycarbonyloxybenzoate
CID 171607901

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate?
The IUPAC name of 2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate (CID 162678587) is 2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate.
What is the SMILES notation for 2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate?
The canonical SMILES for 2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate is O=C(OCCN1CCOCC1)[C@]1(c2ccccc2)C=CCCC1.
What is the InChIKey of 2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate?
The InChIKey is XBLBGCSAOMESSC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-5,7-9H,2,6,10-16H2/t19-/m1/s1.
What are the key properties of 2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate?
2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate has a molecular weight of 315.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl (1S)-1-phenylcyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 162678587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).