2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide

C15H23IN2O — CID 55437048

IUPAC2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCCCCN(CC)CC(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C15H23IN2O/c1-4-6-9-18(5-2)11-15(19)17-14-8-7-13(16)10-12(14)3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyWPIOYTZUGNCZQD-UHFFFAOYSA-N
MW374.27 g/mol
LogP3.66
Rot. Bonds7

About 2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide

2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 55437048) has the molecular formula C15H23IN2O and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID55437048
Molecular FormulaC15H23IN2O
Molecular Weight374.27 g/mol
Exact Mass374.09
IUPAC Name2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCCCCN(CC)CC(=O)Nc1ccc(I)cc1C
InChIInChI=1S/C15H23IN2O/c1-4-6-9-18(5-2)11-15(19)17-14-8-7-13(16)10-12(14)3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyWPIOYTZUGNCZQD-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide
CID 61444232
N-(4-bromo-2-methylphenyl)-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 31994430
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
2-[butyl(2-hydroxyethyl)amino]-N-(2-methylphenyl)acetamide
CID 60688995
2-[butyl(ethyl)amino]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 34603259
2-(ethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 4799659
methyl 3-[[2-(4-iodo-2-methylanilino)-2-oxoethyl]-methylamino]propanoate
CID 62010900
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 131885103
N-(4-iodo-2-methylphenyl)-N',N'-dipropyloxamide
CID 47335971

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide (CID 55437048) is 2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide is CCCCN(CC)CC(=O)Nc1ccc(I)cc1C.
What is the InChIKey of 2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is WPIOYTZUGNCZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23IN2O/c1-4-6-9-18(5-2)11-15(19)17-14-8-7-13(16)10-12(14)3/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19).
What are the key properties of 2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 374.27 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(ethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 55437048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).