N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide

C14H20INO4 — CID 138964223

IUPACN,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(OC)c(OC)c(OC)c1I
InChIInChI=1S/C14H20INO4/c1-6-16(7-2)14(17)9-8-10(18-3)12(19-4)13(20-5)11(9)15/h8H,6-7H2,1-5H3
InChIKeyRKZTVRZXUZGSRZ-UHFFFAOYSA-N
MW393.22 g/mol
LogP2.80
Rot. Bonds6

About N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide

N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide (PubChem CID 138964223) has the molecular formula C14H20INO4 and a molecular weight of 393.22 g/mol. Its IUPAC name is N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide
PubChem CID138964223
Molecular FormulaC14H20INO4
Molecular Weight393.22 g/mol
Exact Mass393.04
IUPAC NameN,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(OC)c(OC)c(OC)c1I
InChIInChI=1S/C14H20INO4/c1-6-16(7-2)14(17)9-8-10(18-3)12(19-4)13(20-5)11(9)15/h8H,6-7H2,1-5H3
InChIKeyRKZTVRZXUZGSRZ-UHFFFAOYSA-N
XLogP2.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide 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

2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188
N-butyl-N-ethyl-3,4,5-trimethoxy-2-nitrobenzamide
CID 37346399
4-[6-(diethylcarbamoyl)-2,3,4-trimethoxyphenyl]-N,N-diethyl-1,3-benzodioxole-5-carboxamide
CID 3074361
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452
N,N-diethyl-2-methoxy-3-methylbenzamide
CID 12902424
N,N-diethyl-2,4-dimethoxy-5-methylbenzamide;2,4-dimethoxy-5-methylbenzoic acid
CID 158871695
[5-(acetyloxymethyl)-2,3-dimethoxyphenyl] 2-iodo-3,4,5-trimethoxybenzoate
CID 102392980
N,N-diethyl-2-methoxy-5-(trifluoromethyl)benzamide
CID 164894117
5-(diethylcarbamoyl)-2,4-dimethoxybenzenesulfonyl chloride
CID 65368924
3-(2-iodo-3,4,5-trimethoxyphenyl)propanoic acid
CID 122391909
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
2-acetyl-N,N-diethyl-3-methoxybenzamide
CID 19802545

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide?
The IUPAC name of N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide (CID 138964223) is N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide?
The canonical SMILES for N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide is CCN(CC)C(=O)c1cc(OC)c(OC)c(OC)c1I.
What is the InChIKey of N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide?
The InChIKey is RKZTVRZXUZGSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20INO4/c1-6-16(7-2)14(17)9-8-10(18-3)12(19-4)13(20-5)11(9)15/h8H,6-7H2,1-5H3.
What are the key properties of N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide?
N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide has a molecular weight of 393.22 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-iodo-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 138964223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).