2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide

C16H23BrN2O2 — CID 95694316

IUPAC2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCO[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C16H23BrN2O2/c1-3-19(4-2)16(20)12-18-9-10-21-15(11-18)13-7-5-6-8-14(13)17/h5-8,15H,3-4,9-12H2,1-2H3/t15-/m1/s1
InChIKeyYGRSQVQQIQBZAS-OAHLLOKOSA-N
MW355.28 g/mol
LogP2.69
Rot. Bonds5

About 2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide

2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide (PubChem CID 95694316) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is 2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
PubChem CID95694316
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCO[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C16H23BrN2O2/c1-3-19(4-2)16(20)12-18-9-10-21-15(11-18)13-7-5-6-8-14(13)17/h5-8,15H,3-4,9-12H2,1-2H3/t15-/m1/s1
InChIKeyYGRSQVQQIQBZAS-OAHLLOKOSA-N
XLogP2.69
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromophenyl)-4-propylmorpholine
CID 82184644
methyl 5-[2-(2-bromophenyl)morpholin-4-yl]pentanoate
CID 91653639
(2S)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]butanoic acid
CID 99833548
N,N-diethyl-2-[2-[6-methyl-4-[(2-methylphenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127251415
(2S)-2-amino-1-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propan-1-one
CID 124591971
(2S)-2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]propanoic acid
CID 124692219
4-[6-[(2R)-4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 125019777
1-[2-(2-ethylsulfanylphenyl)morpholin-4-yl]propan-2-one
CID 67567676
(2R)-2-[(2R)-2-(2-bromophenyl)morpholin-4-yl]propanamide
CID 94823361
2-[2-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-N,N-diethylacetamide
CID 127251417
2-[4-[2-(diethylamino)-2-oxoethyl]morpholin-2-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 155983035
(2R)-2-(2-bromophenyl)-N-prop-2-enylmorpholine-4-carboxamide
CID 95313388

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide (CID 95694316) is 2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCO[C@@H](c2ccccc2Br)C1.
What is the InChIKey of 2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide?
The InChIKey is YGRSQVQQIQBZAS-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-3-19(4-2)16(20)12-18-9-10-21-15(11-18)13-7-5-6-8-14(13)17/h5-8,15H,3-4,9-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide?
2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide has a molecular weight of 355.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-bromophenyl)morpholin-4-yl]-N,N-diethylacetamide is sourced from PubChem (CID 95694316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).