2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide

C18H18BrNO2 — CID 112774907

IUPAC2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C18H18BrNO2/c1-3-11-20(12-4-2)17(21)13-22-16-10-9-14-7-5-6-8-15(14)18(16)19/h3-10H,1-2,11-13H2
InChIKeyCUCBBZWNZUXKHJ-UHFFFAOYSA-N
MW360.25 g/mol
LogP4.18
Rot. Bonds7

About 2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide

2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide (PubChem CID 112774907) has the molecular formula C18H18BrNO2 and a molecular weight of 360.25 g/mol. Its IUPAC name is 2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
PubChem CID112774907
Molecular FormulaC18H18BrNO2
Molecular Weight360.25 g/mol
Exact Mass359.05
IUPAC Name2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)COc1ccc2ccccc2c1Br
InChIInChI=1S/C18H18BrNO2/c1-3-11-20(12-4-2)17(21)13-22-16-10-9-14-7-5-6-8-15(14)18(16)19/h3-10H,1-2,11-13H2
InChIKeyCUCBBZWNZUXKHJ-UHFFFAOYSA-N
XLogP4.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.25
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-{[(1-Bromo-2-naphthyl)oxy]acetyl}pyrrolidine
CID 703709
1-Bromo-2-naphthyl diethylcarbamate
CID 735653
1-[2-(1-Bromonaphthalen-2-yl)oxyacetyl]piperidine-4-carboxamide
CID 1300403
2-(2-Naphthalenyloxy)-1-(1-pyrrolidinyl)ethanone
CID 875060
4-{[(1-Bromo-2-naphthyl)oxy]acetyl}morpholine
CID 1010736
1-[(2-Bromo-4-isopropylphenoxy)acetyl]-4-methylpiperazine
CID 1318258
2-[(2-Bromo-4-methylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline
CID 1370376
1-{2-[(1-Bromo-2-naphthyl)oxy]ethyl}-3-methylpiperidine oxalate
CID 2935862
1-{[(6-Bromo-2-naphthyl)oxy]acetyl}pyrrolidine
CID 2994958
4-{[(1,6-Dibromo-2-naphthyl)oxy]acetyl}morpholine
CID 1013700
2-(6-Bromonaphthalen-2-yl)oxy-1-morpholin-4-ylethanone
CID 2455427
1-(2,6-Dimethylmorpholin-4-yl)-2-naphthalen-2-yloxyethanone
CID 4963151

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide (CID 112774907) is 2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)COc1ccc2ccccc2c1Br.
What is the InChIKey of 2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is CUCBBZWNZUXKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO2/c1-3-11-20(12-4-2)17(21)13-22-16-10-9-14-7-5-6-8-15(14)18(16)19/h3-10H,1-2,11-13H2.
What are the key properties of 2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide?
2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 360.25 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromonaphthalen-2-yl)oxy-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 112774907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).