N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide

C19H22INO2 — CID 126588569

IUPACN-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
SMILESCCC(=O)Nc1ccc(I)cc1COc1ccc(CC)cc1C
InChIInChI=1S/C19H22INO2/c1-4-14-6-9-18(13(3)10-14)23-12-15-11-16(20)7-8-17(15)21-19(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyCGQHVMBRTMSBIE-UHFFFAOYSA-N
MW423.29 g/mol
LogP5.09
Rot. Bonds6

About N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide

N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide (PubChem CID 126588569) has the molecular formula C19H22INO2 and a molecular weight of 423.29 g/mol. Its IUPAC name is N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide.

Molecular Properties

Compound NameN-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
PubChem CID126588569
Molecular FormulaC19H22INO2
Molecular Weight423.29 g/mol
Exact Mass423.07
IUPAC NameN-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide
SMILESCCC(=O)Nc1ccc(I)cc1COc1ccc(CC)cc1C
InChIInChI=1S/C19H22INO2/c1-4-14-6-9-18(13(3)10-14)23-12-15-11-16(20)7-8-17(15)21-19(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22)
InChIKeyCGQHVMBRTMSBIE-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.29
LogP ≤ 55.09
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

S-methyl N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]carbamothioate
CID 126587970
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-methoxyphenyl]propanamide
CID 126588571
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-5-methylphenyl]propanamide
CID 126587630
N-[2-[(2,4-dimethylphenoxy)methyl]-5-iodophenyl]propanamide
CID 129039617
1-[4-ethyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]-3-methylurea
CID 126515913
N-[5-ethenyl-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 129054233
methyl N-[4-bromo-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamate
CID 126589168
N-[4-chloro-2-[(2,4-dimethylphenoxy)methyl]phenyl]propanamide
CID 129039598
N-[2-bromo-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanamide
CID 126588301
N-[4-chloro-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126589418
difluoromethyl N-[2-[(2,4-dimethylphenoxy)methyl]-4-iodophenyl]carbamate
CID 129039540
N-[4-ethoxy-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]propanethioamide
CID 126589423

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide?
The IUPAC name of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide (CID 126588569) is N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide.
What is the SMILES notation for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide?
The canonical SMILES for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide is CCC(=O)Nc1ccc(I)cc1COc1ccc(CC)cc1C.
What is the InChIKey of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide?
The InChIKey is CGQHVMBRTMSBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22INO2/c1-4-14-6-9-18(13(3)10-14)23-12-15-11-16(20)7-8-17(15)21-19(22)5-2/h6-11H,4-5,12H2,1-3H3,(H,21,22).
What are the key properties of N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide?
N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide has a molecular weight of 423.29 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethyl-2-methylphenoxy)methyl]-4-iodophenyl]propanamide is sourced from PubChem (CID 126588569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).