3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

C14H20BrNO3 — CID 79381655

IUPAC3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO3/c1-14(2,18)10-16(3)13(17)7-8-19-12-6-4-5-11(15)9-12/h4-6,9,18H,7-8,10H2,1-3H3
InChIKeyAQZKNBJUOYQFKP-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.45
Rot. Bonds6

About 3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide

3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (PubChem CID 79381655) has the molecular formula C14H20BrNO3 and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
PubChem CID79381655
Molecular FormulaC14H20BrNO3
Molecular Weight330.22 g/mol
Exact Mass329.06
IUPAC Name3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
SMILESCN(CC(C)(C)O)C(=O)CCOc1cccc(Br)c1
InChIInChI=1S/C14H20BrNO3/c1-14(2,18)10-16(3)13(17)7-8-19-12-6-4-5-11(15)9-12/h4-6,9,18H,7-8,10H2,1-3H3
InChIKeyAQZKNBJUOYQFKP-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79381735
3-(3-bromophenoxy)-N,N-bis(2-methoxyethyl)propanamide
CID 55348926
N-(1-aminopropan-2-yl)-3-(3-bromophenoxy)-N-methylpropanamide
CID 119582539
N-(1-amino-2-methylpropan-2-yl)-3-(3-bromophenoxy)propanamide
CID 119522531
2-[3-(3-bromophenoxy)propanoyl-propan-2-ylamino]acetic acid
CID 60832392
3-(3-bromophenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902504
3-(3-bromophenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 43390558
ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 9193534
4-(3-bromophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 9475836
4-(3-bromophenoxy)-N-tert-butylbutanamide
CID 112763236
2-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65110128

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The IUPAC name of 3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide (CID 79381655) is 3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The canonical SMILES for 3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is CN(CC(C)(C)O)C(=O)CCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
The InChIKey is AQZKNBJUOYQFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3/c1-14(2,18)10-16(3)13(17)7-8-19-12-6-4-5-11(15)9-12/h4-6,9,18H,7-8,10H2,1-3H3.
What are the key properties of 3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide?
3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide has a molecular weight of 330.22 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide is sourced from PubChem (CID 79381655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).