N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide

C16H24BrN3O — CID 60807310

IUPACN-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1Br)C1CCNCC1
InChIInChI=1S/C16H24BrN3O/c1-3-20(13-6-8-18-9-7-13)11-16(21)19-15-5-4-12(2)10-14(15)17/h4-5,10,13,18H,3,6-9,11H2,1-2H3,(H,19,21)
InChIKeyZJUSCJIVIYSWCZ-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.77
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide

N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide (PubChem CID 60807310) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
PubChem CID60807310
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC NameN-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C)cc1Br)C1CCNCC1
InChIInChI=1S/C16H24BrN3O/c1-3-20(13-6-8-18-9-7-13)11-16(21)19-15-5-4-12(2)10-14(15)17/h4-5,10,13,18H,3,6-9,11H2,1-2H3,(H,19,21)
InChIKeyZJUSCJIVIYSWCZ-UHFFFAOYSA-N
XLogP2.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 66183880
N-(2,5-dimethylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide
CID 60806799
2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
2-[ethyl(piperidin-4-yl)amino]-N-(2-methylphenyl)acetamide
CID 60805607
N-(2-bromo-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642312
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
2-[acetyl(cyclohexyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 113159569
N-(4-chloro-2-methylphenyl)-2-[ethyl(pyrrolidin-3-yl)amino]acetamide
CID 63299906
N-(2-methoxy-5-methylphenyl)-2-[piperidin-4-yl(propyl)amino]acetamide;hydrochloride
CID 119932950
N-(2-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607229
N-(2,4-dibromophenyl)-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301508

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide (CID 60807310) is N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide is CCN(CC(=O)Nc1ccc(C)cc1Br)C1CCNCC1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
The InChIKey is ZJUSCJIVIYSWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c1-3-20(13-6-8-18-9-7-13)11-16(21)19-15-5-4-12(2)10-14(15)17/h4-5,10,13,18H,3,6-9,11H2,1-2H3,(H,19,21).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide?
N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide has a molecular weight of 354.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-[ethyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 60807310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).