N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide

C12H17BrN2O3 — CID 79291207

IUPACN-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(OC)c(Br)c1
InChIInChI=1S/C12H17BrN2O3/c1-17-6-5-14-8-12(16)15-9-3-4-11(18-2)10(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyCIRNZGAFWXOUFY-UHFFFAOYSA-N
MW317.18 g/mol
LogP1.63
Rot. Bonds7

About N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide

N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide (PubChem CID 79291207) has the molecular formula C12H17BrN2O3 and a molecular weight of 317.18 g/mol. Its IUPAC name is N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide.

Molecular Properties

Compound NameN-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
PubChem CID79291207
Molecular FormulaC12H17BrN2O3
Molecular Weight317.18 g/mol
Exact Mass316.04
IUPAC NameN-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
SMILESCOCCNCC(=O)Nc1ccc(OC)c(Br)c1
InChIInChI=1S/C12H17BrN2O3/c1-17-6-5-14-8-12(16)15-9-3-4-11(18-2)10(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyCIRNZGAFWXOUFY-UHFFFAOYSA-N
XLogP1.63
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-fluorophenyl)-2-(2-methoxyethylamino)acetamide
CID 115738296
N-(3-bromo-4-methoxyphenyl)-2-(prop-2-enylamino)acetamide
CID 79280621
N-[4-(carbamoylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide
CID 119779724
2-(2-methoxyethylamino)-N-(4-methoxyphenyl)acetamide
CID 28565585
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119739356
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-(3-chloro-4-propoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 79281917
N-(4-ethoxy-3-fluorophenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119742218
N-(4-iodophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819702
N-(3-chloro-4-propan-2-yloxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 75423665
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
2-(2-methoxyethylamino)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119677471

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The IUPAC name of N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide (CID 79291207) is N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide.
What is the SMILES notation for N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The canonical SMILES for N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide is COCCNCC(=O)Nc1ccc(OC)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
The InChIKey is CIRNZGAFWXOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3/c1-17-6-5-14-8-12(16)15-9-3-4-11(18-2)10(13)7-9/h3-4,7,14H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide?
N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide has a molecular weight of 317.18 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methoxyphenyl)-2-(2-methoxyethylamino)acetamide is sourced from PubChem (CID 79291207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).