2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

C14H18INO2 — CID 103769451

IUPAC2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cccc(C)c1I
InChIInChI=1S/C14H18INO2/c1-10(2)9-18-8-7-16-14(17)12-6-4-5-11(3)13(12)15/h4-6H,1,7-9H2,2-3H3,(H,16,17)
InChIKeySIBTXZYCLHGCAP-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.92
Rot. Bonds6

About 2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide

2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (PubChem CID 103769451) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
PubChem CID103769451
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
SMILESC=C(C)COCCNC(=O)c1cccc(C)c1I
InChIInChI=1S/C14H18INO2/c1-10(2)9-18-8-7-16-14(17)12-6-4-5-11(3)13(12)15/h4-6H,1,7-9H2,2-3H3,(H,16,17)
InChIKeySIBTXZYCLHGCAP-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[2-(2-methoxyethoxy)ethyl]-3-methylbenzamide
CID 113223555
5-bromo-2-iodo-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 113258386
N-ethyl-2-iodo-3-methylbenzamide
CID 69076024
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide
CID 71917211
2-(2,6-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
CID 115699812
2-iodo-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-3-methylbenzamide
CID 113230340
N-[3-(diethylamino)propyl]-2-iodo-3-methylbenzamide
CID 113222868
N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide
CID 115700247
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
N-[2-(2-bromoethoxy)ethyl]-2-hydroxy-3-methylbenzamide
CID 114309468
N-(2-cyclopropylethyl)-2-iodo-3-methylbenzamide
CID 103708603

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The IUPAC name of 2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide (CID 103769451) is 2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is C=C(C)COCCNC(=O)c1cccc(C)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
The InChIKey is SIBTXZYCLHGCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-10(2)9-18-8-7-16-14(17)12-6-4-5-11(3)13(12)15/h4-6H,1,7-9H2,2-3H3,(H,16,17).
What are the key properties of 2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide?
2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide has a molecular weight of 359.21 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide is sourced from PubChem (CID 103769451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).