2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide

C16H23BrN2O2 — CID 110664960

IUPAC2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2O2/c1-16(2,3)11-18-15(20)19-8-9-21-14(10-19)12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,18,20)
InChIKeyFVABYIJHVAFAEU-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.58
Rot. Bonds2

About 2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide

2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide (PubChem CID 110664960) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
PubChem CID110664960
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide
SMILESCC(C)(C)CNC(=O)N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H23BrN2O2/c1-16(2,3)11-18-15(20)19-8-9-21-14(10-19)12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,18,20)
InChIKeyFVABYIJHVAFAEU-UHFFFAOYSA-N
XLogP3.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-tert-butylmorpholine-4-carboxamide
CID 110664959
4-[[2-(4-bromophenyl)morpholine-4-carbonyl]amino]butanoic acid
CID 122021453
methyl 4-[2-(4-bromophenyl)morpholin-4-yl]-4-oxobutanoate
CID 110664958
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 94199655
4-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 120561194
2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]pentan-1-one
CID 119302691
ethyl 2-[[(2S)-2-(4-chlorophenyl)morpholine-4-carbonyl]amino]acetate
CID 94610167
2-(4-chlorophenyl)-N-propylmorpholine-4-carboxamide
CID 47326521
(2S)-2-amino-1-[2-(4-bromophenyl)morpholin-4-yl]-4-methylpentan-1-one
CID 119747734
1-[2-(4-bromophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 47913307
[(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

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide (CID 110664960) is 2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide is CC(C)(C)CNC(=O)N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide?
The InChIKey is FVABYIJHVAFAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-16(2,3)11-18-15(20)19-8-9-21-14(10-19)12-4-6-13(17)7-5-12/h4-7,14H,8-11H2,1-3H3,(H,18,20).
What are the key properties of 2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide?
2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide has a molecular weight of 355.28 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2,2-dimethylpropyl)morpholine-4-carboxamide is sourced from PubChem (CID 110664960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).