N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide

C14H18IN3O2 — CID 9053773

IUPACN-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1I)CC(=O)NC1CC1
InChIInChI=1S/C14H18IN3O2/c1-18(8-13(19)16-10-6-7-10)9-14(20)17-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyGZRCSGAVTQRLNG-UHFFFAOYSA-N
MW387.22 g/mol
LogP1.44
Rot. Bonds6

About N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide

N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9053773) has the molecular formula C14H18IN3O2 and a molecular weight of 387.22 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9053773
Molecular FormulaC14H18IN3O2
Molecular Weight387.22 g/mol
Exact Mass387.04
IUPAC NameN-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1I)CC(=O)NC1CC1
InChIInChI=1S/C14H18IN3O2/c1-18(8-13(19)16-10-6-7-10)9-14(20)17-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyGZRCSGAVTQRLNG-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-[methyl-[2-(2-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9053004
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
N-cyclohexyl-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 17485054
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-iodoanilino)-N-methylacetamide
CID 24510602
N-cycloheptyl-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 38510500
2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 9053133
2-[[2-(4-amino-2-methylanilino)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 43574823
N-cyclopropyl-2-[[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 40715510
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119928883
2-[furan-2-ylmethyl(methyl)amino]-N-(2-iodophenyl)acetamide
CID 9334115
ethyl 4-[[2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]acetyl]amino]piperidine-1-carboxylate
CID 8814953
N-cyclopropyl-2-[[2-(N-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 8908925

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide (CID 9053773) is N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide is CN(CC(=O)Nc1ccccc1I)CC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is GZRCSGAVTQRLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18IN3O2/c1-18(8-13(19)16-10-6-7-10)9-14(20)17-12-5-3-2-4-11(12)15/h2-5,10H,6-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide?
N-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide 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-cyclopropyl-2-[[2-(2-iodoanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9053773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).