N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide

C16H24IN3O2 — CID 10873444

IUPACN-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide
SMILESCCN1CCN(C)CC(NC(=O)c2cc(I)ccc2OC)C1
InChIInChI=1S/C16H24IN3O2/c1-4-20-8-7-19(2)10-13(11-20)18-16(21)14-9-12(17)5-6-15(14)22-3/h5-6,9,13H,4,7-8,10-11H2,1-3H3,(H,18,21)
InChIKeyQAILNNDTAQOORM-UHFFFAOYSA-N
MW417.29 g/mol
LogP1.67
Rot. Bonds4

About N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide

N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide (PubChem CID 10873444) has the molecular formula C16H24IN3O2 and a molecular weight of 417.29 g/mol. Its IUPAC name is N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide
PubChem CID10873444
Molecular FormulaC16H24IN3O2
Molecular Weight417.29 g/mol
Exact Mass417.09
IUPAC NameN-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide
SMILESCCN1CCN(C)CC(NC(=O)c2cc(I)ccc2OC)C1
InChIInChI=1S/C16H24IN3O2/c1-4-20-8-7-19(2)10-13(11-20)18-16(21)14-9-12(17)5-6-15(14)22-3/h5-6,9,13H,4,7-8,10-11H2,1-3H3,(H,18,21)
InChIKeyQAILNNDTAQOORM-UHFFFAOYSA-N
XLogP1.67
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(6R)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-5-iodo-2-methoxy-4-(methylamino)benzamide
CID 10884781
N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxy-4-(methylamino)benzamide
CID 10095069
5-chloro-N-[(6R)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide
CID 11810408
4-bromo-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
CID 154302788
N-butyl-5-iodo-2-methoxybenzamide
CID 132553879
4-amino-N-(1-ethylazetidin-3-yl)-2-fluoro-5-methoxybenzamide
CID 89192526
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
N-(azetidin-3-yl)-5-chloro-2-methoxybenzamide
CID 66186533
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
4-acetamido-N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-5-chloro-2-ethoxybenzamide
CID 10004356
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methoxybenzamide
CID 61150287

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide?
The IUPAC name of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide (CID 10873444) is N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide.
What is the SMILES notation for N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide?
The canonical SMILES for N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide is CCN1CCN(C)CC(NC(=O)c2cc(I)ccc2OC)C1.
What is the InChIKey of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide?
The InChIKey is QAILNNDTAQOORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24IN3O2/c1-4-20-8-7-19(2)10-13(11-20)18-16(21)14-9-12(17)5-6-15(14)22-3/h5-6,9,13H,4,7-8,10-11H2,1-3H3,(H,18,21).
What are the key properties of N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide?
N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide has a molecular weight of 417.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-5-iodo-2-methoxybenzamide is sourced from PubChem (CID 10873444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).