[2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium

C17H20IN2O2+ — CID 2441198

IUPAC[2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1I
InChIInChI=1S/C17H19IN2O2/c1-12(13-7-3-6-10-16(13)22-2)19-11-17(21)20-15-9-5-4-8-14(15)18/h3-10,12,19H,11H2,1-2H3,(H,20,21)/p+1/t12-/m0/s1
InChIKeyZVHABDXESJHHNY-LBPRGKRZSA-O
MW411.26 g/mol
LogP2.56
Rot. Bonds6

About [2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium

[2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium (PubChem CID 2441198) has the molecular formula C17H20IN2O2+ and a molecular weight of 411.26 g/mol. Its IUPAC name is [2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium.

Molecular Properties

Compound Name[2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium
PubChem CID2441198
Molecular FormulaC17H20IN2O2+
Molecular Weight411.26 g/mol
Exact Mass411.06
IUPAC Name[2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium
SMILESCOc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1I
InChIInChI=1S/C17H19IN2O2/c1-12(13-7-3-6-10-16(13)22-2)19-11-17(21)20-15-9-5-4-8-14(15)18/h3-10,12,19H,11H2,1-2H3,(H,20,21)/p+1/t12-/m0/s1
InChIKeyZVHABDXESJHHNY-LBPRGKRZSA-O
XLogP2.56
TPSA54.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898444
[2-(2-iodoanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2636059
N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7900625
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2,4-dimethoxyanilino)-2-oxoethyl]azanium
CID 9307194
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]azanium
CID 8598301
[2-(2,4-dimethoxyanilino)-2-oxoethyl]-[(1R)-1-naphthalen-1-ylethyl]azanium
CID 9397675
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
[2-(2-ethoxyanilino)-2-oxoethyl]-[(1R)-1-phenylethyl]azanium
CID 8898297
[(1S)-1-(2-chlorophenyl)ethyl]-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium
CID 9307131
[2-(2-iodoanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]azanium
CID 2455352
[2-(3,4-dimethoxyanilino)-2-oxoethyl]-[(1S)-1-naphthalen-1-ylethyl]azanium
CID 9397393
tert-butyl-[2-(2-iodoanilino)-2-oxoethyl]azanium
CID 9119792

Frequently Asked Questions

What is the IUPAC name of [2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium?
The IUPAC name of [2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium (CID 2441198) is [2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium.
What is the SMILES notation for [2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium?
The canonical SMILES for [2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium is COc1ccccc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1I.
What is the InChIKey of [2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium?
The InChIKey is ZVHABDXESJHHNY-LBPRGKRZSA-O. The full InChI is InChI=1S/C17H19IN2O2/c1-12(13-7-3-6-10-16(13)22-2)19-11-17(21)20-15-9-5-4-8-14(15)18/h3-10,12,19H,11H2,1-2H3,(H,20,21)/p+1/t12-/m0/s1.
What are the key properties of [2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium?
[2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium has a molecular weight of 411.26 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-iodoanilino)-2-oxoethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium is sourced from PubChem (CID 2441198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).