(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide

C15H21BrN2O2 — CID 120925805

IUPAC(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C15H21BrN2O2/c1-10(9-12-3-5-13(16)6-4-12)18-15(19)14-11(2)20-8-7-17-14/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19)/t10?,11-,14+/m1/s1
InChIKeyVNZSSXOGFNNGQJ-DRKXBUQZSA-N
MW341.25 g/mol
LogP1.87
Rot. Bonds4

About (2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide (PubChem CID 120925805) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is (2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
PubChem CID120925805
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
SMILESCC(Cc1ccc(Br)cc1)NC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C15H21BrN2O2/c1-10(9-12-3-5-13(16)6-4-12)18-15(19)14-11(2)20-8-7-17-14/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19)/t10?,11-,14+/m1/s1
InChIKeyVNZSSXOGFNNGQJ-DRKXBUQZSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-[1-(3,5-dimethylphenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide
CID 120935470
(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928221
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54867930
(2R,3S)-N-[2-(4-bromophenyl)sulfanylpropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932287
2-[1-(4-bromophenyl)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975257
(2R,3S)-N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120937518
methyl 3-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate
CID 120920090
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 119295645
(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
(2R,3S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926240
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide (CID 120925805) is (2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide is CC(Cc1ccc(Br)cc1)NC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide?
The InChIKey is VNZSSXOGFNNGQJ-DRKXBUQZSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10(9-12-3-5-13(16)6-4-12)18-15(19)14-11(2)20-8-7-17-14/h3-6,10-11,14,17H,7-9H2,1-2H3,(H,18,19)/t10?,11-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(4-bromophenyl)propan-2-yl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120925805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).