2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate

C17H23ClN2O4 — CID 92969335

IUPAC2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
SMILESO=C(OCCN1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C17H23ClN2O4/c18-15-3-1-14(2-4-15)16-13-19(5-11-23-16)6-12-24-17(21)20-7-9-22-10-8-20/h1-4,16H,5-13H2/t16-/m1/s1
InChIKeyKQHCHFHZTVDVMT-MRXNPFEDSA-N
MW354.83 g/mol
LogP2.18
Rot. Bonds4

About 2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate

2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate (PubChem CID 92969335) has the molecular formula C17H23ClN2O4 and a molecular weight of 354.83 g/mol. Its IUPAC name is 2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate.

Molecular Properties

Compound Name2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
PubChem CID92969335
Molecular FormulaC17H23ClN2O4
Molecular Weight354.83 g/mol
Exact Mass354.13
IUPAC Name2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate
SMILESO=C(OCCN1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C17H23ClN2O4/c18-15-3-1-14(2-4-15)16-13-19(5-11-23-16)6-12-24-17(21)20-7-9-22-10-8-20/h1-4,16H,5-13H2/t16-/m1/s1
InChIKeyKQHCHFHZTVDVMT-MRXNPFEDSA-N
XLogP2.18
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 95211388
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142765989
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
2-[3-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965045
2-[3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]propanoylamino]thiophene-3-carboxamide
CID 51965044
2-[4-[[(2S)-2-(4-chlorophenyl)morpholin-4-yl]methyl]phenoxy]acetamide
CID 95415223

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate?
The IUPAC name of 2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate (CID 92969335) is 2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate.
What is the SMILES notation for 2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate?
The canonical SMILES for 2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate is O=C(OCCN1CCO[C@@H](c2ccc(Cl)cc2)C1)N1CCOCC1.
What is the InChIKey of 2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate?
The InChIKey is KQHCHFHZTVDVMT-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H23ClN2O4/c18-15-3-1-14(2-4-15)16-13-19(5-11-23-16)6-12-24-17(21)20-7-9-22-10-8-20/h1-4,16H,5-13H2/t16-/m1/s1.
What are the key properties of 2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate?
2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate has a molecular weight of 354.83 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]ethyl morpholine-4-carboxylate is sourced from PubChem (CID 92969335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).