N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide

C15H21IN2O2 — CID 62034848

IUPACN,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H21IN2O2/c1-4-18(5-2)15(20)11-17(3)10-14(19)12-6-8-13(16)9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyRFHRPGPGGCAJLI-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.27
Rot. Bonds7

About N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide

N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide (PubChem CID 62034848) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide
PubChem CID62034848
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC NameN,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide
SMILESCCN(CC)C(=O)CN(C)CC(=O)c1ccc(I)cc1
InChIInChI=1S/C15H21IN2O2/c1-4-18(5-2)15(20)11-17(3)10-14(19)12-6-8-13(16)9-7-12/h6-9H,4-5,10-11H2,1-3H3
InChIKeyRFHRPGPGGCAJLI-UHFFFAOYSA-N
XLogP2.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide (CID 62034848) is N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide is CCN(CC)C(=O)CN(C)CC(=O)c1ccc(I)cc1.
What is the InChIKey of N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is RFHRPGPGGCAJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-4-18(5-2)15(20)11-17(3)10-14(19)12-6-8-13(16)9-7-12/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide?
N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 388.25 g/mol, XLogP of 2.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[[2-(4-iodophenyl)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 62034848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).