N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide

C18H20INO2 — CID 129039617

IUPACN-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
SMILESCCC(=O)Nc1cc(I)ccc1COc1ccc(C)cc1C
InChIInChI=1S/C18H20INO2/c1-4-18(21)20-16-10-15(19)7-6-14(16)11-22-17-8-5-12(2)9-13(17)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyKHKNPAUXINJFTN-UHFFFAOYSA-N
MW409.27 g/mol
LogP4.84
Rot. Bonds5

About N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide

N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide (PubChem CID 129039617) has the molecular formula C18H20INO2 and a molecular weight of 409.27 g/mol. Its IUPAC name is N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
PubChem CID129039617
Molecular FormulaC18H20INO2
Molecular Weight409.27 g/mol
Exact Mass409.05
IUPAC NameN-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
SMILESCCC(=O)Nc1cc(I)ccc1COc1ccc(C)cc1C
InChIInChI=1S/C18H20INO2/c1-4-18(21)20-16-10-15(19)7-6-14(16)11-22-17-8-5-12(2)9-13(17)3/h5-10H,4,11H2,1-3H3,(H,20,21)
InChIKeyKHKNPAUXINJFTN-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 54.84
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-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
CID 126588569
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
N-[4-cyclopropyl-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039431
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]carbamate
CID 129039540
methyl N-[5-bromo-2-[(2,4-dimethylphenoxy)methyl]phenyl]carbamate
CID 129039275
N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 129054233
N-[2-[[2-(difluoromethyl)-4-methylphenoxy]methyl]phenyl]propanamide
CID 129038856
ethyl N-[5-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589055
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-5-methoxyphenyl]carbamate
CID 129039832
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
ethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]carbamate
CID 129039328

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide?
The IUPAC name of N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide (CID 129039617) is N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide.
What is the SMILES notation for N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide?
The canonical SMILES for N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide is CCC(=O)Nc1cc(I)ccc1COc1ccc(C)cc1C.
What is the InChIKey of N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide?
The InChIKey is KHKNPAUXINJFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20INO2/c1-4-18(21)20-16-10-15(19)7-6-14(16)11-22-17-8-5-12(2)9-13(17)3/h5-10H,4,11H2,1-3H3,(H,20,21).
What are the key properties of N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide?
N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide has a molecular weight of 409.27 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide is sourced from PubChem (CID 129039617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).