2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide

C14H21BrN2O2 — CID 95310127

IUPAC2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-3-16-14(19)10-17(4-2)9-13(18)11-5-7-12(15)8-6-11/h5-8,13,18H,3-4,9-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyIVSQLQHOLKOSQV-ZDUSSCGKSA-N
MW329.24 g/mol
LogP1.94
Rot. Bonds7

About 2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide

2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide (PubChem CID 95310127) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
PubChem CID95310127
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC Name2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C[C@H](O)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-3-16-14(19)10-17(4-2)9-13(18)11-5-7-12(15)8-6-11/h5-8,13,18H,3-4,9-10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyIVSQLQHOLKOSQV-ZDUSSCGKSA-N
XLogP1.94
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide
CID 95310128
2-[(4-bromophenyl)methyl-ethylamino]-N-ethylacetamide
CID 54939808
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-prop-2-enylacetamide
CID 111489932
2-[ethyl-(2-hydroxy-2-phenylethyl)amino]-N-propan-2-ylacetamide
CID 110880161
2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 111487300
2-[(4-bromo-2-chlorophenyl)methyl-ethylamino]-N-ethylacetamide
CID 48935568
2-[[1-(4-bromophenyl)-1-oxopropan-2-yl]-ethylamino]-N-ethylacetamide
CID 60680295
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8795783
N-(2-cyano-3-methylbutan-2-yl)-2-[ethyl-[2-hydroxy-2-(4-methylphenyl)ethyl]amino]acetamide
CID 111490028
2-[(4-bromophenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 27276319

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide (CID 95310127) is 2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)C[C@H](O)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide?
The InChIKey is IVSQLQHOLKOSQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-3-16-14(19)10-17(4-2)9-13(18)11-5-7-12(15)8-6-11/h5-8,13,18H,3-4,9-10H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of 2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide?
2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide has a molecular weight of 329.24 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-bromophenyl)-2-hydroxyethyl]-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 95310127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).