3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide

C15H23BrN2O — CID 103822837

IUPAC3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
SMILESCCC(NCC(C)(C)C(=O)NC)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-5-13(11-6-8-12(16)9-7-11)18-10-15(2,3)14(19)17-4/h6-9,13,18H,5,10H2,1-4H3,(H,17,19)
InChIKeyLOTWDPWAITYDOG-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.26
Rot. Bonds6

About 3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide

3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide (PubChem CID 103822837) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is 3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
PubChem CID103822837
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
SMILESCCC(NCC(C)(C)C(=O)NC)c1ccc(Br)cc1
InChIInChI=1S/C15H23BrN2O/c1-5-13(11-6-8-12(16)9-7-11)18-10-15(2,3)14(19)17-4/h6-9,13,18H,5,10H2,1-4H3,(H,17,19)
InChIKeyLOTWDPWAITYDOG-UHFFFAOYSA-N
XLogP3.26
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-ethylphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917285
3-[1-(2-hydroxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 104664689
methyl 2-[1-(4-bromophenyl)propylamino]acetate
CID 43177477
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
CID 60673174
(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
N-[1-(4-bromophenyl)propyl]-2-(ethylamino)-2-methylpropanamide
CID 62833060
1-[1-(4-bromophenyl)propylamino]-4-methoxy-2-methylbutan-2-ol
CID 103784328
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
3-[1-(3-bromo-4-methoxyphenyl)ethylamino]-N,2,2-trimethylpropanamide
CID 103917273
2-[[(1S)-1-(4-bromophenyl)propyl]amino]-N-(tert-butylcarbamoyl)acetamide
CID 9263209
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
1-[1-(4-bromophenyl)propylamino]-4,4-dimethylpentan-2-ol
CID 107151396

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide (CID 103822837) is 3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide is CCC(NCC(C)(C)C(=O)NC)c1ccc(Br)cc1.
What is the InChIKey of 3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide?
The InChIKey is LOTWDPWAITYDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-5-13(11-6-8-12(16)9-7-11)18-10-15(2,3)14(19)17-4/h6-9,13,18H,5,10H2,1-4H3,(H,17,19).
What are the key properties of 3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide?
3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide has a molecular weight of 327.27 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103822837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).