N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide

C12H17IN2O2 — CID 119505130

IUPACN-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide
SMILESCCNCCNC(=O)c1ccc(OC)cc1I
InChIInChI=1S/C12H17IN2O2/c1-3-14-6-7-15-12(16)10-5-4-9(17-2)8-11(10)13/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyNMSNXTOSMDEJBM-UHFFFAOYSA-N
MW348.18 g/mol
LogP1.64
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide

N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide (PubChem CID 119505130) has the molecular formula C12H17IN2O2 and a molecular weight of 348.18 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide
PubChem CID119505130
Molecular FormulaC12H17IN2O2
Molecular Weight348.18 g/mol
Exact Mass348.03
IUPAC NameN-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide
SMILESCCNCCNC(=O)c1ccc(OC)cc1I
InChIInChI=1S/C12H17IN2O2/c1-3-14-6-7-15-12(16)10-5-4-9(17-2)8-11(10)13/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16)
InChIKeyNMSNXTOSMDEJBM-UHFFFAOYSA-N
XLogP1.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.18
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
5-chloro-N-[2-(ethylamino)ethyl]-4-iodo-2-methoxybenzamide
CID 119507340
N-[2-(ethylamino)ethyl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 119509230
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381
N-[2-(ethylamino)ethyl]-2,4,5-trimethoxybenzamide;hydrochloride
CID 119506932
2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
CID 119506272
2-iodo-4-methoxy-N-[(2S)-1-methoxypropan-2-yl]benzamide
CID 97087681
N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
N-[2-(ethylamino)ethyl]-2,5-dihydroxybenzamide
CID 107725067
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
CID 62656877
N-[2-(ethylamino)ethyl]-2-hydroxy-4-methylbenzamide
CID 62656871
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide (CID 119505130) is N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide is CCNCCNC(=O)c1ccc(OC)cc1I.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide?
The InChIKey is NMSNXTOSMDEJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O2/c1-3-14-6-7-15-12(16)10-5-4-9(17-2)8-11(10)13/h4-5,8,14H,3,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide?
N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide has a molecular weight of 348.18 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-iodo-4-methoxybenzamide is sourced from PubChem (CID 119505130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).