2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide

C14H21IN2O2 — CID 60689127

IUPAC2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide
SMILESCCCCN(CCO)CC(=O)Nc1ccccc1I
InChIInChI=1S/C14H21IN2O2/c1-2-3-8-17(9-10-18)11-14(19)16-13-7-5-4-6-12(13)15/h4-7,18H,2-3,8-11H2,1H3,(H,16,19)
InChIKeyMCTKANHTUGBFSR-UHFFFAOYSA-N
MW376.24 g/mol
LogP2.32
Rot. Bonds8

About 2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide

2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide (PubChem CID 60689127) has the molecular formula C14H21IN2O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide
PubChem CID60689127
Molecular FormulaC14H21IN2O2
Molecular Weight376.24 g/mol
Exact Mass376.06
IUPAC Name2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide
SMILESCCCCN(CCO)CC(=O)Nc1ccccc1I
InChIInChI=1S/C14H21IN2O2/c1-2-3-8-17(9-10-18)11-14(19)16-13-7-5-4-6-12(13)15/h4-7,18H,2-3,8-11H2,1H3,(H,16,19)
InChIKeyMCTKANHTUGBFSR-UHFFFAOYSA-N
XLogP2.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(2-hydroxyethyl)amino]-N-(2-methylphenyl)acetamide
CID 60688995
2-[butyl(2-hydroxyethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 60689184
2-(dibutylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026049
N-(2-chlorophenyl)-2-(dibutylamino)acetamide
CID 18870799
2-[butyl(2-hydroxyethyl)amino]-N-(2,4-dibromophenyl)acetamide
CID 60689148
2-[2-hydroxyethyl(propyl)amino]-N-(2-propan-2-ylphenyl)acetamide
CID 60692713
2-[butyl(2-hydroxyethyl)amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 60689165
N-(4-amino-2-methylphenyl)-2-[butyl(2-hydroxyethyl)amino]acetamide
CID 61444232
N-[2-[butyl(2-hydroxyethyl)amino]acetyl]benzamide
CID 60689022
N-(2-aminophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61242990
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-iodophenyl)acetamide
CID 8907392

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide (CID 60689127) is 2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide is CCCCN(CCO)CC(=O)Nc1ccccc1I.
What is the InChIKey of 2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide?
The InChIKey is MCTKANHTUGBFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O2/c1-2-3-8-17(9-10-18)11-14(19)16-13-7-5-4-6-12(13)15/h4-7,18H,2-3,8-11H2,1H3,(H,16,19).
What are the key properties of 2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide?
2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide has a molecular weight of 376.24 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(2-hydroxyethyl)amino]-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 60689127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).