2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide

C16H24BrN3O2 — CID 9039845

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O2/c1-12(2)8-9-18-16(22)19-15(21)11-20(3)10-13-4-6-14(17)7-5-13/h4-7,12H,8-11H2,1-3H3,(H2,18,19,21,22)
InChIKeyZEJJUSVQJOYKAQ-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.75
Rot. Bonds7

About 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide (PubChem CID 9039845) has the molecular formula C16H24BrN3O2 and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide
PubChem CID9039845
Molecular FormulaC16H24BrN3O2
Molecular Weight370.29 g/mol
Exact Mass369.11
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide
SMILESCC(C)CCNC(=O)NC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C16H24BrN3O2/c1-12(2)8-9-18-16(22)19-15(21)11-20(3)10-13-4-6-14(17)7-5-13/h4-7,12H,8-11H2,1-3H3,(H2,18,19,21,22)
InChIKeyZEJJUSVQJOYKAQ-UHFFFAOYSA-N
XLogP2.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9251733
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-methylpropylcarbamoyl)acetamide
CID 9028292
2-[(4-fluorophenyl)methyl-methylamino]-N-(propylcarbamoyl)acetamide
CID 9251739
N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028269
N-methyl-4-[[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]methyl]benzamide
CID 9123723
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 27204242
2-[5-hydroxypentyl(methyl)amino]-N-(3-methylbutylcarbamoyl)acetamide
CID 107204289
2-[(4-bromophenyl)methyl-methylamino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 9040145
2-[(4-bromophenyl)methyl-methylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2541418
2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 8810478
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
2-[(4-bromophenyl)methyl-methylamino]-N-(1-phenylethyl)acetamide
CID 4876507

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide (CID 9039845) is 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide is CC(C)CCNC(=O)NC(=O)CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide?
The InChIKey is ZEJJUSVQJOYKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O2/c1-12(2)8-9-18-16(22)19-15(21)11-20(3)10-13-4-6-14(17)7-5-13/h4-7,12H,8-11H2,1-3H3,(H2,18,19,21,22).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide has a molecular weight of 370.29 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(3-methylbutylcarbamoyl)acetamide is sourced from PubChem (CID 9039845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).