2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide

C15H19BrN2O2 — CID 47090002

IUPAC2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H19BrN2O2/c1-2-6-17-15(19)11-18-7-8-20-14(10-18)12-4-3-5-13(16)9-12/h2-5,9,14H,1,6-8,10-11H2,(H,17,19)
InChIKeyWKVLVCTVKDRZAQ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.12
Rot. Bonds5

About 2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide

2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide (PubChem CID 47090002) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide
PubChem CID47090002
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCOC(c2cccc(Br)c2)C1
InChIInChI=1S/C15H19BrN2O2/c1-2-6-17-15(19)11-18-7-8-20-14(10-18)12-4-3-5-13(16)9-12/h2-5,9,14H,1,6-8,10-11H2,(H,17,19)
InChIKeyWKVLVCTVKDRZAQ-UHFFFAOYSA-N
XLogP2.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-2-phenylmorpholin-4-yl]-N-prop-2-enylacetamide
CID 36732674
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
2-[2-(3-bromophenyl)morpholin-4-yl]-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 60609355
methyl (2S)-3-[(2R)-2-(3-bromophenyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoate
CID 97317840
(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543
(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
CID 95315646
N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide
CID 36735412
N-[(3-chlorophenyl)methyl]-2-[2-(4-chlorophenyl)morpholin-4-yl]acetamide
CID 55827928
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
N-prop-2-enyl-2-[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]acetamide
CID 163352513
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide (CID 47090002) is 2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCOC(c2cccc(Br)c2)C1.
What is the InChIKey of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide?
The InChIKey is WKVLVCTVKDRZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-2-6-17-15(19)11-18-7-8-20-14(10-18)12-4-3-5-13(16)9-12/h2-5,9,14H,1,6-8,10-11H2,(H,17,19).
What are the key properties of 2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide?
2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide has a molecular weight of 339.23 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)morpholin-4-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 47090002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).