N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide

C14H21BrN2O2 — CID 61171662

IUPACN-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide
SMILESCCCCOCCNCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-2-3-9-19-10-8-16-11-14(18)17-13-6-4-12(15)5-7-13/h4-7,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyJQPZQTWDRGGNRB-UHFFFAOYSA-N
MW329.24 g/mol
LogP2.79
Rot. Bonds9

About N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide

N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide (PubChem CID 61171662) has the molecular formula C14H21BrN2O2 and a molecular weight of 329.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide
PubChem CID61171662
Molecular FormulaC14H21BrN2O2
Molecular Weight329.24 g/mol
Exact Mass328.08
IUPAC NameN-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide
SMILESCCCCOCCNCC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O2/c1-2-3-9-19-10-8-16-11-14(18)17-13-6-4-12(15)5-7-13/h4-7,16H,2-3,8-11H2,1H3,(H,17,18)
InChIKeyJQPZQTWDRGGNRB-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
N-(4-bromophenyl)-3-propoxypropanamide
CID 55208743
butyl 4-[[2-(propylamino)acetyl]amino]benzoate
CID 60648371
2-(hexadecylamino)-N-(4-propoxyphenyl)acetamide
CID 54808874
N-(4-bromophenyl)-2-[2-(methylamino)ethoxy]acetamide
CID 62336625
N-(4-butoxyphenyl)-2-(ethylamino)acetamide
CID 54821038
2-[3-(2-hydroxyethoxy)propylamino]-N-(4-methylphenyl)acetamide
CID 106309850
2-(heptylamino)-N-(4-methoxyphenyl)acetamide
CID 54814691
2-[3-(2-methoxyethoxy)propylamino]-N-phenylacetamide
CID 103605722
N-(4-methylphenyl)-2-(pentylamino)acetamide
CID 28569144
2-(hexadecylamino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54808989
2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide (CID 61171662) is N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide is CCCCOCCNCC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide?
The InChIKey is JQPZQTWDRGGNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2/c1-2-3-9-19-10-8-16-11-14(18)17-13-6-4-12(15)5-7-13/h4-7,16H,2-3,8-11H2,1H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide?
N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide has a molecular weight of 329.24 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-butoxyethylamino)acetamide is sourced from PubChem (CID 61171662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).