N,N-diethyl-2-(2-iodoanilino)propanamide

C13H19IN2O — CID 43113743

IUPACN,N-diethyl-2-(2-iodoanilino)propanamide
SMILESCCN(CC)C(=O)C(C)Nc1ccccc1I
InChIInChI=1S/C13H19IN2O/c1-4-16(5-2)13(17)10(3)15-12-9-7-6-8-11(12)14/h6-10,15H,4-5H2,1-3H3
InChIKeyUGZCKFALBJCJMM-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.96
Rot. Bonds5

About N,N-diethyl-2-(2-iodoanilino)propanamide

N,N-diethyl-2-(2-iodoanilino)propanamide (PubChem CID 43113743) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is N,N-diethyl-2-(2-iodoanilino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-iodoanilino)propanamide
PubChem CID43113743
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC NameN,N-diethyl-2-(2-iodoanilino)propanamide
SMILESCCN(CC)C(=O)C(C)Nc1ccccc1I
InChIInChI=1S/C13H19IN2O/c1-4-16(5-2)13(17)10(3)15-12-9-7-6-8-11(12)14/h6-10,15H,4-5H2,1-3H3
InChIKeyUGZCKFALBJCJMM-UHFFFAOYSA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(benzylamino)-N,N-diethylpropanamide
CID 43112479
2-(1,2,4-benzotriazin-3-ylamino)-N,N-diethylpropanamide
CID 103204462
2-(2-iodoanilino)-3-methylbutanoic acid
CID 103236993
N,N-diethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136957101
3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
CID 47258185
2-(3,5-dimethylanilino)-N,N-diethylpropanamide
CID 43113083
N-cyclohexyl-2-(2-iodoanilino)propanamide
CID 43083874
N,N-diethyl-2-[(2-methyl-1-phenylpropyl)amino]propanamide
CID 43425569
N,N-diethyl-2-(4-methoxyanilino)propanamide
CID 43112882
2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide
CID 104713833
N-[1-(diethylamino)-1-oxopropan-2-yl]-3-iodobenzamide
CID 54938221
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-iodoanilino)propanamide?
The IUPAC name of N,N-diethyl-2-(2-iodoanilino)propanamide (CID 43113743) is N,N-diethyl-2-(2-iodoanilino)propanamide.
What is the SMILES notation for N,N-diethyl-2-(2-iodoanilino)propanamide?
The canonical SMILES for N,N-diethyl-2-(2-iodoanilino)propanamide is CCN(CC)C(=O)C(C)Nc1ccccc1I.
What is the InChIKey of N,N-diethyl-2-(2-iodoanilino)propanamide?
The InChIKey is UGZCKFALBJCJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-4-16(5-2)13(17)10(3)15-12-9-7-6-8-11(12)14/h6-10,15H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-2-(2-iodoanilino)propanamide?
N,N-diethyl-2-(2-iodoanilino)propanamide has a molecular weight of 346.21 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-iodoanilino)propanamide is sourced from PubChem (CID 43113743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).