(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide

C17H18INO2 — CID 95076832

IUPAC(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)c1
InChIInChI=1S/C17H18INO2/c1-11-5-4-6-15(9-11)21-13(3)17(20)19-16-8-7-14(18)10-12(16)2/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyOKIZCTVITJWJLO-ZDUSSCGKSA-N
MW395.24 g/mol
LogP4.31
Rot. Bonds4

About (2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide

(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide (PubChem CID 95076832) has the molecular formula C17H18INO2 and a molecular weight of 395.24 g/mol. Its IUPAC name is (2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide
PubChem CID95076832
Molecular FormulaC17H18INO2
Molecular Weight395.24 g/mol
Exact Mass395.04
IUPAC Name(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)c1
InChIInChI=1S/C17H18INO2/c1-11-5-4-6-15(9-11)21-13(3)17(20)19-16-8-7-14(18)10-12(16)2/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyOKIZCTVITJWJLO-ZDUSSCGKSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 54.31
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-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931062
N-[2-methyl-4-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenyl]phenyl]-2-(3-methylphenoxy)propanamide
CID 4931464
(2R)-2-(3-methylphenoxy)-N-(2-methylphenyl)propanamide
CID 7028027
2-(3-methylphenoxy)-N-[2-[2-(3-methylphenoxy)propanoylamino]phenyl]propanamide
CID 4211486
(2R)-N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 2640909
N-(2,3-dimethylphenyl)-2-(3-methylphenoxy)propanamide
CID 4931110
(2S)-2-(3,5-dimethylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 889131
2-[3-methyl-4-[2-(3-methylphenoxy)propanoylamino]phenoxy]acetic acid
CID 17342101
(2R)-N-(2-hydroxy-3-methylphenyl)-2-(3-methylphenoxy)propanamide
CID 95788721
N-(2-hydroxyphenyl)-2-(3-methylphenoxy)propanamide
CID 18103927
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 841227
2-(3-methylphenoxy)-N-(3-methylphenyl)propanamide
CID 4931056

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide (CID 95076832) is (2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide is Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(I)cc2C)c1.
What is the InChIKey of (2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide?
The InChIKey is OKIZCTVITJWJLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18INO2/c1-11-5-4-6-15(9-11)21-13(3)17(20)19-16-8-7-14(18)10-12(16)2/h4-10,13H,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide?
(2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide has a molecular weight of 395.24 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-iodo-2-methylphenyl)-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 95076832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).