2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide

C14H21IN2O2 — CID 113230340

IUPAC2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
SMILESCOCCN(C)CCNC(=O)c1cccc(C)c1I
InChIInChI=1S/C14H21IN2O2/c1-11-5-4-6-12(13(11)15)14(18)16-7-8-17(2)9-10-19-3/h4-6H,7-10H2,1-3H3,(H,16,18)
InChIKeyLRDSCYVNTVVGEC-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.91
Rot. Bonds7

About 2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide

2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide (PubChem CID 113230340) has the molecular formula C14H21IN2O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
PubChem CID113230340
Molecular FormulaC14H21IN2O2
Molecular Weight376.24 g/mol
Exact Mass376.06
IUPAC Name2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
SMILESCOCCN(C)CCNC(=O)c1cccc(C)c1I
InChIInChI=1S/C14H21IN2O2/c1-11-5-4-6-12(13(11)15)14(18)16-7-8-17(2)9-10-19-3/h4-6H,7-10H2,1-3H3,(H,16,18)
InChIKeyLRDSCYVNTVVGEC-UHFFFAOYSA-N
XLogP1.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
CID 113222868
2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 103769451
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]benzoic acid
CID 62850824
2-hydrazinyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylbenzamide
CID 62848709
N-[2-(dimethylamino)propyl]-2-iodo-3-methylbenzamide
CID 51081725
3-hydroxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-methylbenzamide
CID 62849743
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603
2-iodo-N-(2-methoxy-2-methylpropyl)-3-methylbenzamide
CID 103708378
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
6-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 62850825

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide?
The IUPAC name of 2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide (CID 113230340) is 2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for 2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide?
The canonical SMILES for 2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide is COCCN(C)CCNC(=O)c1cccc(C)c1I.
What is the InChIKey of 2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide?
The InChIKey is LRDSCYVNTVVGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2O2/c1-11-5-4-6-12(13(11)15)14(18)16-7-8-17(2)9-10-19-3/h4-6H,7-10H2,1-3H3,(H,16,18).
What are the key properties of 2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide?
2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide has a molecular weight of 376.24 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 113230340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).