2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide

C14H21BrN2O — CID 81359238

IUPAC2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
SMILESC[C@@H](NCC(=O)NC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-10(11-5-7-12(15)8-6-11)16-9-13(18)17-14(2,3)4/h5-8,10,16H,9H2,1-4H3,(H,17,18)/t10-/m1/s1
InChIKeyBOPREVJZJXKXRV-SNVBAGLBSA-N
MW313.24 g/mol
LogP3.01
Rot. Bonds4

About 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide (PubChem CID 81359238) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
PubChem CID81359238
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide
SMILESC[C@@H](NCC(=O)NC(C)(C)C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-10(11-5-7-12(15)8-6-11)16-9-13(18)17-14(2,3)4/h5-8,10,16H,9H2,1-4H3,(H,17,18)/t10-/m1/s1
InChIKeyBOPREVJZJXKXRV-SNVBAGLBSA-N
XLogP3.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
2-[1-(4-bromophenyl)ethylamino]-N-ethylacetamide
CID 43400964
N-tert-butyl-2-[1-(4-propylphenyl)ethylamino]acetamide
CID 81298338
2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
CID 103522146
2-[1-(4-bromophenyl)ethylamino]-N-butan-2-ylacetamide
CID 60693866
N-tert-butyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 115356169
2-[1-(4-bromophenyl)ethylamino]-N-cyclopropylacetamide
CID 43398074
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-tert-butylacetamide
CID 81296450
N-tert-butyl-2-(1-thiophen-3-ylethylamino)acetamide
CID 62842048
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-cyclopentylacetamide
CID 81359637
N-tert-butyl-2-[1-(3,4-dimethoxyphenyl)ethylamino]acetamide
CID 61172776

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide (CID 81359238) is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide is C[C@@H](NCC(=O)NC(C)(C)C)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide?
The InChIKey is BOPREVJZJXKXRV-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(11-5-7-12(15)8-6-11)16-9-13(18)17-14(2,3)4/h5-8,10,16H,9H2,1-4H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide?
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide has a molecular weight of 313.24 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-tert-butylacetamide is sourced from PubChem (CID 81359238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).