N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide

C14H18IN3O2 — CID 24510602

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CNc1ccccc1I
InChIInChI=1S/C14H18IN3O2/c1-18(9-13(19)17-10-6-7-10)14(20)8-16-12-5-3-2-4-11(12)15/h2-5,10,16H,6-9H2,1H3,(H,17,19)
InChIKeyDUBVQOWORJFPPL-UHFFFAOYSA-N
MW387.22 g/mol
LogP1.44
Rot. Bonds6

About N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide

N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide (PubChem CID 24510602) has the molecular formula C14H18IN3O2 and a molecular weight of 387.22 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide
PubChem CID24510602
Molecular FormulaC14H18IN3O2
Molecular Weight387.22 g/mol
Exact Mass387.04
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide
SMILESCN(CC(=O)NC1CC1)C(=O)CNc1ccccc1I
InChIInChI=1S/C14H18IN3O2/c1-18(9-13(19)17-10-6-7-10)14(20)8-16-12-5-3-2-4-11(12)15/h2-5,10,16H,6-9H2,1H3,(H,17,19)
InChIKeyDUBVQOWORJFPPL-UHFFFAOYSA-N
XLogP1.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide
CID 9053773
N-cyclopropyl-2-(2-iodoanilino)-N-methylacetamide
CID 61488566
N-cyclohexyl-2-(2-iodoanilino)acetamide
CID 28878262
N-(4-chlorophenyl)-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]benzamide
CID 24510669
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(3,4-dichloroanilino)-N-methylacetamide
CID 24510584
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
2-[[2-(2-aminophenoxy)acetyl]-methylamino]-N-cyclopropylacetamide
CID 43572560
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(prop-2-ynylamino)acetamide
CID 78911139
N-cyclopropyl-2-[2-(methylsulfamoyl)anilino]acetamide
CID 43568446
3-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]amino]propanoic acid
CID 43466279

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide (CID 24510602) is N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide is CN(CC(=O)NC1CC1)C(=O)CNc1ccccc1I.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide?
The InChIKey is DUBVQOWORJFPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3O2/c1-18(9-13(19)17-10-6-7-10)14(20)8-16-12-5-3-2-4-11(12)15/h2-5,10,16H,6-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide has a molecular weight of 387.22 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide is sourced from PubChem (CID 24510602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).