2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide

C16H25BrN2O — CID 43425684

IUPAC2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
SMILESCCC(NC(C)C(=O)N(CC)CC)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-5-15(13-8-10-14(17)11-9-13)18-12(4)16(20)19(6-2)7-3/h8-12,15,18H,5-7H2,1-4H3
InChIKeyIFIRZEMMZIPFCR-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.75
Rot. Bonds7

About 2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide

2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide (PubChem CID 43425684) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
PubChem CID43425684
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
SMILESCCC(NC(C)C(=O)N(CC)CC)c1ccc(Br)cc1
InChIInChI=1S/C16H25BrN2O/c1-5-15(13-8-10-14(17)11-9-13)18-12(4)16(20)19(6-2)7-3/h8-12,15,18H,5-7H2,1-4H3
InChIKeyIFIRZEMMZIPFCR-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174
(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
2-[1-(3-bromophenyl)ethylamino]-N,N-diethylpropanamide
CID 43426627
N-[1-(4-bromophenyl)propyl]formamide
CID 64990442
2-[1-(4-chlorophenyl)propylamino]-N,N-dimethylpropanamide
CID 43402967
[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] N,N-diethylcarbamodithioate
CID 7841284
methyl 2-[1-(4-bromophenyl)propylamino]butanoate
CID 115352622
2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
CID 104652645
N-[1-(4-bromophenyl)propyl]-3-methylpentan-2-amine
CID 43692297
1-(4-bromophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-1-amine
CID 115889897
1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one
CID 8643765

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide?
The IUPAC name of 2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide (CID 43425684) is 2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide is CCC(NC(C)C(=O)N(CC)CC)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide?
The InChIKey is IFIRZEMMZIPFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-5-15(13-8-10-14(17)11-9-13)18-12(4)16(20)19(6-2)7-3/h8-12,15,18H,5-7H2,1-4H3.
What are the key properties of 2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide?
2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide has a molecular weight of 341.29 g/mol, XLogP of 3.75, 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)propylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 43425684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).