(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide

C12H16BrNO2 — CID 8643879

IUPAC(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)Oc1ccc(C)cc1Br
InChIInChI=1S/C12H16BrNO2/c1-4-14-12(15)9(3)16-11-6-5-8(2)7-10(11)13/h5-7,9H,4H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyKZFAWDYLAIQSAI-SECBINFHSA-N
MW286.17 g/mol
LogP2.66
Rot. Bonds4

About (2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide

(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide (PubChem CID 8643879) has the molecular formula C12H16BrNO2 and a molecular weight of 286.17 g/mol. Its IUPAC name is (2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
PubChem CID8643879
Molecular FormulaC12H16BrNO2
Molecular Weight286.17 g/mol
Exact Mass285.04
IUPAC Name(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)Oc1ccc(C)cc1Br
InChIInChI=1S/C12H16BrNO2/c1-4-14-12(15)9(3)16-11-6-5-8(2)7-10(11)13/h5-7,9H,4H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyKZFAWDYLAIQSAI-SECBINFHSA-N
XLogP2.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-(3-hydroxypropyl)propanamide
CID 78888648
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-ethylpropanamide
CID 63052140
2-(2-bromo-4-methylphenoxy)propanehydrazide
CID 2789718
N-[(2S)-1-aminopropan-2-yl]-2-(2-bromo-4-methylphenoxy)propanamide
CID 120508965
2-(2-bromo-4-methylphenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 47055671
2-(2-bromo-4-methylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119510639
2-(2-bromo-4-methylphenoxy)-N-[(2,5-dimethoxyphenyl)methyl]propanamide
CID 47047009
N-(1-amino-2-methylpropan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119522000
2-(2-bromo-4-methylphenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 55523747
2-(2-bromo-4-methylphenoxy)-N-[(2-ethoxy-3-pyridinyl)methyl]propanamide
CID 55774550
3-[2-[1-(ethylamino)-1-oxopropan-2-yl]oxy-5-methylphenyl]prop-2-enoic acid
CID 77011446
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2-bromo-4-methylphenoxy)propanamide
CID 119606088

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide?
The IUPAC name of (2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide (CID 8643879) is (2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide?
The canonical SMILES for (2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide is CCNC(=O)[C@@H](C)Oc1ccc(C)cc1Br.
What is the InChIKey of (2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide?
The InChIKey is KZFAWDYLAIQSAI-SECBINFHSA-N. The full InChI is InChI=1S/C12H16BrNO2/c1-4-14-12(15)9(3)16-11-6-5-8(2)7-10(11)13/h5-7,9H,4H2,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide?
(2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide has a molecular weight of 286.17 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromo-4-methylphenoxy)-N-ethylpropanamide is sourced from PubChem (CID 8643879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).