[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone

C19H24N2O2 — CID 34280429

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
SMILESCc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C19H24N2O2/c1-13-5-6-14(2)21(13)18-9-7-17(8-10-18)19(22)20-11-15(3)23-16(4)12-20/h5-10,15-16H,11-12H2,1-4H3/t15-,16+
InChIKeyKVJOUMKMUHLISE-IYBDPMFKSA-N
MW312.41 g/mol
LogP3.34
Rot. Bonds2

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone (PubChem CID 34280429) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
PubChem CID34280429
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
SMILESCc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1
InChIInChI=1S/C19H24N2O2/c1-13-5-6-14(2)21(13)18-9-7-17(8-10-18)19(22)20-11-15(3)23-16(4)12-20/h5-10,15-16H,11-12H2,1-4H3/t15-,16+
InChIKeyKVJOUMKMUHLISE-IYBDPMFKSA-N
XLogP3.34
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051085
4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]benzoic acid
CID 93051084
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
(4-bromo-3-methylphenyl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 66817211
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]urea
CID 42915501
(3-chloro-4-methylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 143211757
(2,6-dimethylmorpholin-4-yl)-(furan-3-yl)methanone
CID 42922601
(3,4-dichlorophenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 3339174

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone (CID 34280429) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone is Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone?
The InChIKey is KVJOUMKMUHLISE-IYBDPMFKSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-5-6-14(2)21(13)18-9-7-17(8-10-18)19(22)20-11-15(3)23-16(4)12-20/h5-10,15-16H,11-12H2,1-4H3/t15-,16+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone has a molecular weight of 312.41 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone is sourced from PubChem (CID 34280429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).