N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide

C18H20IN3O2 — CID 55697019

IUPACN-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccccc1I
InChIInChI=1S/C18H20IN3O2/c1-12-7-6-8-13(2)17(12)21-16(23)11-22(3)18(24)20-15-10-5-4-9-14(15)19/h4-10H,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyXZNUQDLQXFKMGX-UHFFFAOYSA-N
MW437.28 g/mol
LogP4.01
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide (PubChem CID 55697019) has the molecular formula C18H20IN3O2 and a molecular weight of 437.28 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
PubChem CID55697019
Molecular FormulaC18H20IN3O2
Molecular Weight437.28 g/mol
Exact Mass437.06
IUPAC NameN-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccccc1I
InChIInChI=1S/C18H20IN3O2/c1-12-7-6-8-13(2)17(12)21-16(23)11-22(3)18(24)20-15-10-5-4-9-14(15)19/h4-10H,11H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyXZNUQDLQXFKMGX-UHFFFAOYSA-N
XLogP4.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.28
LogP ≤ 54.01
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

N-(2,6-dimethylphenyl)-2-[methyl-[[2-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 55698968
N-(2,6-dimethylphenyl)-2-[(4-fluoro-2-methoxyphenyl)carbamoyl-methylamino]acetamide
CID 86988555
2-(N-ethyl-2-methylanilino)-N-(2-iodophenyl)acetamide
CID 55434677
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 27807926
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877
(3R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-phenylbutanamide
CID 9437869
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(2-methylphenoxy)propanamide
CID 9437503
3-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide;hydrochloride
CID 119683128
2-bromo-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 8500775
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
cis-(1R,2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 2650123
N-(2,6-dimethylphenyl)-2-[methyl-(2-phenylsulfanylacetyl)amino]acetamide
CID 26619662

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide (CID 55697019) is N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccccc1I.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide?
The InChIKey is XZNUQDLQXFKMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20IN3O2/c1-12-7-6-8-13(2)17(12)21-16(23)11-22(3)18(24)20-15-10-5-4-9-14(15)19/h4-10H,11H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide has a molecular weight of 437.28 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(2-iodophenyl)carbamoyl-methylamino]acetamide is sourced from PubChem (CID 55697019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).