3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide

C14H20BrNO2 — CID 115402117

IUPAC3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide
SMILESCC(C)c1cc(Br)ccc1OCCC(=O)N(C)C
InChIInChI=1S/C14H20BrNO2/c1-10(2)12-9-11(15)5-6-13(12)18-8-7-14(17)16(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyWIZKKUCRHAYVHR-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.43
Rot. Bonds5

About 3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide

3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide (PubChem CID 115402117) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide
PubChem CID115402117
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide
SMILESCC(C)c1cc(Br)ccc1OCCC(=O)N(C)C
InChIInChI=1S/C14H20BrNO2/c1-10(2)12-9-11(15)5-6-13(12)18-8-7-14(17)16(3)4/h5-6,9-10H,7-8H2,1-4H3
InChIKeyWIZKKUCRHAYVHR-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-propan-2-ylphenoxy)propanamide
CID 115401946
6-(4-bromo-2-propan-2-ylphenoxy)hexan-2-one
CID 113302989
tert-butyl 3-(4-bromo-2-propan-2-ylphenoxy)propanoate
CID 116659255
5-bromo-2-[3-(dimethylamino)-3-oxopropoxy]benzoic acid
CID 54879103
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63366501
3-[2-[(1S)-1-aminoethyl]-4-bromophenoxy]-N-methylpropanamide
CID 55191169
3-[4-bromo-2-[1-(methylamino)ethyl]phenoxy]-N-methylpropanamide
CID 62392982
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
(2R)-1-[2-(4-bromo-2-propan-2-ylphenoxy)ethylamino]propan-2-ol
CID 7375011
methyl 3-(4-bromo-2-propan-2-ylphenoxy)-2,2-dimethylpropanoate
CID 113302849
3-[2-[(1R)-1-aminoethyl]-4-bromophenoxy]-N-propan-2-ylpropanamide
CID 55189402

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide?
The IUPAC name of 3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide (CID 115402117) is 3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide is CC(C)c1cc(Br)ccc1OCCC(=O)N(C)C.
What is the InChIKey of 3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide?
The InChIKey is WIZKKUCRHAYVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-10(2)12-9-11(15)5-6-13(12)18-8-7-14(17)16(3)4/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide?
3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide has a molecular weight of 314.22 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-propan-2-ylphenoxy)-N,N-dimethylpropanamide is sourced from PubChem (CID 115402117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).