3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide

C17H22BrN3O2 — CID 124573621

IUPAC3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN1CCO[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C17H22BrN3O2/c1-20(9-2-8-19)17(22)7-10-21-11-12-23-16(13-21)14-3-5-15(18)6-4-14/h3-6,16H,2,7,9-13H2,1H3/t16-/m0/s1
InChIKeyHLCGAPZZFHNEDF-INIZCTEOSA-N
MW380.29 g/mol
LogP2.58
Rot. Bonds6

About 3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide

3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide (PubChem CID 124573621) has the molecular formula C17H22BrN3O2 and a molecular weight of 380.29 g/mol. Its IUPAC name is 3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
PubChem CID124573621
Molecular FormulaC17H22BrN3O2
Molecular Weight380.29 g/mol
Exact Mass379.09
IUPAC Name3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESCN(CCC#N)C(=O)CCN1CCO[C@H](c2ccc(Br)cc2)C1
InChIInChI=1S/C17H22BrN3O2/c1-20(9-2-8-19)17(22)7-10-21-11-12-23-16(13-21)14-3-5-15(18)6-4-14/h3-6,16H,2,7,9-13H2,1H3/t16-/m0/s1
InChIKeyHLCGAPZZFHNEDF-INIZCTEOSA-N
XLogP2.58
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 2-(4-bromophenyl)morpholine-4-carboxylate
CID 58097878
(2S)-2-(4-bromophenyl)-4-methylmorpholine
CID 67354235
2-(4-bromophenyl)-N-[3-(dimethylamino)-3-oxopropyl]morpholine-4-carboxamide
CID 47073863
2-[2-(4-bromophenyl)morpholin-4-yl]-N-propylacetamide
CID 47078061
3-[2-(4-bromophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 47078063
2-(4-Bromophenyl)-4-methylmorpholine
CID 12761207
tert-butyl 2-(3-Bromophenyl)morpholine-4-carboxylate
CID 129319546
(2R)-2-(4-bromophenyl)-4-methylmorpholine hydrochloride
CID 137964239
1-[2-(4-Bromophenyl)-3-methylmorpholin-4-yl]-2-methoxypropan-1-one
CID 75390523
1-[2-(4-Bromophenyl)-3-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 121551750
(2R)-2-(4-Bromophenyl)-4-methylmorpholine
CID 67352697
Tert-butyl 2-(4-bromo-2-fluorophenyl)morpholine-4-carboxylate
CID 68325460

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
The IUPAC name of 3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide (CID 124573621) is 3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide.
What is the SMILES notation for 3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
The canonical SMILES for 3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide is CN(CCC#N)C(=O)CCN1CCO[C@H](c2ccc(Br)cc2)C1.
What is the InChIKey of 3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
The InChIKey is HLCGAPZZFHNEDF-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22BrN3O2/c1-20(9-2-8-19)17(22)7-10-21-11-12-23-16(13-21)14-3-5-15(18)6-4-14/h3-6,16H,2,7,9-13H2,1H3/t16-/m0/s1.
What are the key properties of 3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide?
3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide has a molecular weight of 380.29 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-(2-cyanoethyl)-N-methylpropanamide is sourced from PubChem (CID 124573621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).