N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide

C15H21BrN2O2 — CID 8899342

IUPACN-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10-4-5-13(6-14(10)16)17-15(19)9-18-7-11(2)20-12(3)8-18/h4-6,11-12H,7-9H2,1-3H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyBDFBTNJRZQGMAC-RYUDHWBXSA-N
MW341.25 g/mol
LogP2.81
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide

N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide (PubChem CID 8899342) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
PubChem CID8899342
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide
SMILESCc1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1Br
InChIInChI=1S/C15H21BrN2O2/c1-10-4-5-13(6-14(10)16)17-15(19)9-18-7-11(2)20-12(3)8-18/h4-6,11-12H,7-9H2,1-3H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyBDFBTNJRZQGMAC-RYUDHWBXSA-N
XLogP2.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N-(3,4-dimethylphenyl)acetamide
CID 6465799
N-(3-bromo-4-methylphenyl)-2-morpholin-4-ylacetamide;hydrochloride
CID 90485324
N-(3-fluoro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935699
N-(3-chloro-4-methylphenyl)-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]acetamide
CID 102935978
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-fluorophenyl)acetamide
CID 703778
N-(3-amino-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 16779490
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-ethylphenyl)acetamide
CID 8899824
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2378377
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 2653141
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-sulfamoylphenyl)acetamide
CID 7810409
3-[[2-(2,6-dimethylmorpholin-4-yl)acetyl]amino]-N-ethylbenzamide
CID 47010706

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide (CID 8899342) is N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide is Cc1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
The InChIKey is BDFBTNJRZQGMAC-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-4-5-13(6-14(10)16)17-15(19)9-18-7-11(2)20-12(3)8-18/h4-6,11-12H,7-9H2,1-3H3,(H,17,19)/t11-,12-/m0/s1.
What are the key properties of N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide?
N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide has a molecular weight of 341.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 8899342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).