2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

C21H25BrN2O3 — CID 95679589

IUPAC2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCO[C@H](c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C21H25BrN2O3/c1-23(13-16-3-9-19(26-2)10-4-16)21(25)15-24-11-12-27-20(14-24)17-5-7-18(22)8-6-17/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1
InChIKeyVWCYWSZULWRZHQ-FQEVSTJZSA-N
MW433.35 g/mol
LogP3.49
Rot. Bonds6

About 2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide

2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (PubChem CID 95679589) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
PubChem CID95679589
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCO[C@H](c3ccc(Br)cc3)C2)cc1
InChIInChI=1S/C21H25BrN2O3/c1-23(13-16-3-9-19(26-2)10-4-16)21(25)15-24-11-12-27-20(14-24)17-5-7-18(22)8-6-17/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1
InChIKeyVWCYWSZULWRZHQ-FQEVSTJZSA-N
XLogP3.49
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide (CID 95679589) is 2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is COc1ccc(CN(C)C(=O)CN2CCO[C@H](c3ccc(Br)cc3)C2)cc1.
What is the InChIKey of 2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
The InChIKey is VWCYWSZULWRZHQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-23(13-16-3-9-19(26-2)10-4-16)21(25)15-24-11-12-27-20(14-24)17-5-7-18(22)8-6-17/h3-10,20H,11-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide?
2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide has a molecular weight of 433.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]-N-[(4-methoxyphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 95679589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).