2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide

C15H21BrN2O2 — CID 110664959

IUPAC2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
SMILESCC(C)(C)NC(=O)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)17-14(19)18-8-9-20-13(10-18)11-4-6-12(16)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,17,19)
InChIKeyXJCIVDUKIJEKSA-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.33
Rot. Bonds1

About 2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide

2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide (PubChem CID 110664959) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
PubChem CID110664959
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC Name2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
SMILESCC(C)(C)NC(=O)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C15H21BrN2O2/c1-15(2,3)17-14(19)18-8-9-20-13(10-18)11-4-6-12(16)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,17,19)
InChIKeyXJCIVDUKIJEKSA-UHFFFAOYSA-N
XLogP3.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
CID 110664960
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 94199655
4-[2-(4-bromophenyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 120673076
methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate
CID 110664958
4-[[2-(4-bromophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021453
[2-(4-bromophenyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 47913292
[(2R)-2-(4-bromophenyl)morpholin-4-yl]-[(2S)-oxolan-2-yl]methanone
CID 93173457
[2-(4-bromophenyl)morpholin-4-yl]-(oxolan-2-yl)methanone
CID 47404799
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(4-bromophenyl)morpholin-4-yl]methanone
CID 125135358
2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
CID 119302691
4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide (CID 110664959) is 2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide is CC(C)(C)NC(=O)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide?
The InChIKey is XJCIVDUKIJEKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-15(2,3)17-14(19)18-8-9-20-13(10-18)11-4-6-12(16)7-5-11/h4-7,13H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide?
2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide is sourced from PubChem (CID 110664959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).