2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide

C15H23BrN2O — CID 103522190

IUPAC2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-4-18(5-2)15(19)11-17-12(3)10-13-6-8-14(16)9-7-13/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyWVVDFHVGWUGVPZ-UHFFFAOYSA-N
MW327.27 g/mol
LogP2.84
Rot. Bonds7

About 2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide

2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide (PubChem CID 103522190) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide
PubChem CID103522190
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-4-18(5-2)15(19)11-17-12(3)10-13-6-8-14(16)9-7-13/h6-9,12,17H,4-5,10-11H2,1-3H3
InChIKeyWVVDFHVGWUGVPZ-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-2-methylprop-2-en-1-amine
CID 103522481
N-ethyl-2-[1-(4-hydroxyphenyl)propan-2-ylamino]-N-methylacetamide
CID 107640502
2-[1-(4-bromophenyl)propan-2-ylamino]-N-tert-butylacetamide
CID 103522146
N-[(4-bromophenyl)methyl]-2-(butan-2-ylamino)-N-methylacetamide
CID 60646795
N,N-diethyl-2-[[(2S)-1-(4-fluorophenyl)-3-methylbutan-2-yl]amino]acetamide
CID 97321937
N,N-diethyl-2-[1-(2-methoxyphenyl)propan-2-ylamino]acetamide
CID 115712587
2-(1-aminopropan-2-ylamino)-N,N-diethylacetamide
CID 103390839
N-[3-[1-(4-bromophenyl)propan-2-ylamino]propyl]-N-ethylmethanesulfonamide
CID 103522177
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
CID 43783642
2-[1-(4-methoxyphenyl)propan-2-ylamino]-N,N-dimethylacetamide
CID 43508841
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857
2-[(4-bromophenyl)methylsulfanyl]-N,N-diethylacetamide
CID 967739

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide (CID 103522190) is 2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CNC(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide?
The InChIKey is WVVDFHVGWUGVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-4-18(5-2)15(19)11-17-12(3)10-13-6-8-14(16)9-7-13/h6-9,12,17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide?
2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide has a molecular weight of 327.27 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)propan-2-ylamino]-N,N-diethylacetamide is sourced from PubChem (CID 103522190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).