N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide

C14H21BrN2O — CID 47123169

IUPACN-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(NC(=O)CN(C)C(C)C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-10(2)17(4)9-14(18)16-11(3)12-7-5-6-8-13(12)15/h5-8,10-11H,9H2,1-4H3,(H,16,18)
InChIKeyPDLGLWSNMANTHI-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.97
Rot. Bonds5

About N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide

N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide (PubChem CID 47123169) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide
PubChem CID47123169
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide
SMILESCC(NC(=O)CN(C)C(C)C)c1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-10(2)17(4)9-14(18)16-11(3)12-7-5-6-8-13(12)15/h5-8,10-11H,9H2,1-4H3,(H,16,18)
InChIKeyPDLGLWSNMANTHI-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-[[(1S)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8913472
2-[[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8792770
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 8540444
N-[1-(2-bromophenyl)ethyl]-4-hydroxypentanamide
CID 79205047
3-amino-N-[1-(2-bromophenyl)ethyl]butanamide
CID 60837651
N-[1-(2-bromophenyl)ethyl]-4-hydroxybutanamide
CID 79204955
N-[(1R)-1-(2-bromophenyl)ethyl]-2-ethoxyacetamide
CID 81396707
N-[1-(2-bromophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78807026
2-(4-aminophenyl)-N-[(1R)-1-(2-bromophenyl)ethyl]acetamide
CID 81383148
N-[1-(2-bromophenyl)ethyl]-2-(2-chlorophenyl)acetamide
CID 42998474
N-[(1S)-1-(2-bromophenyl)ethyl]-2-propoxyacetamide
CID 113344955
7-amino-N-[(1S)-1-(2-bromophenyl)ethyl]heptanamide
CID 81396989

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide (CID 47123169) is N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide is CC(NC(=O)CN(C)C(C)C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide?
The InChIKey is PDLGLWSNMANTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-10(2)17(4)9-14(18)16-11(3)12-7-5-6-8-13(12)15/h5-8,10-11H,9H2,1-4H3,(H,16,18).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide?
N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide has a molecular weight of 313.24 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-2-[methyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 47123169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).