N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide

C17H25IN2O2 — CID 51532518

IUPACN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)c2cccc(I)c2)C[C@H](C)O1
InChIInChI=1S/C17H25IN2O2/c1-12-9-20(10-13(2)22-12)17(3,4)11-19-16(21)14-6-5-7-15(18)8-14/h5-8,12-13H,9-11H2,1-4H3,(H,19,21)/t12-,13+
InChIKeyKIAMZSXIWZIHPG-BETUJISGSA-N
MW416.30 g/mol
LogP2.91
Rot. Bonds4

About N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide

N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide (PubChem CID 51532518) has the molecular formula C17H25IN2O2 and a molecular weight of 416.30 g/mol. Its IUPAC name is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
PubChem CID51532518
Molecular FormulaC17H25IN2O2
Molecular Weight416.30 g/mol
Exact Mass416.10
IUPAC NameN-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide
SMILESC[C@@H]1CN(C(C)(C)CNC(=O)c2cccc(I)c2)C[C@H](C)O1
InChIInChI=1S/C17H25IN2O2/c1-12-9-20(10-13(2)22-12)17(3,4)11-19-16(21)14-6-5-7-15(18)8-14/h5-8,12-13H,9-11H2,1-4H3,(H,19,21)/t12-,13+
InChIKeyKIAMZSXIWZIHPG-BETUJISGSA-N
XLogP2.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 17436533
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 47019977
3-(cyclopropylsulfamoyl)-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]benzamide
CID 29299625
2-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]pyridine-4-carboxamide
CID 42940170
N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302140
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-3-carboxamide
CID 29302135
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 25350845
N-(2-amino-2-methylpropyl)-3-iodobenzamide
CID 81482556
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-4-methylsulfonylbenzamide
CID 29297040
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]furan-2-carboxamide
CID 29297646
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]benzamide
CID 24613023
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 29303331

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide?
The IUPAC name of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide (CID 51532518) is N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide.
What is the SMILES notation for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide?
The canonical SMILES for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide is C[C@@H]1CN(C(C)(C)CNC(=O)c2cccc(I)c2)C[C@H](C)O1.
What is the InChIKey of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide?
The InChIKey is KIAMZSXIWZIHPG-BETUJISGSA-N. The full InChI is InChI=1S/C17H25IN2O2/c1-12-9-20(10-13(2)22-12)17(3,4)11-19-16(21)14-6-5-7-15(18)8-14/h5-8,12-13H,9-11H2,1-4H3,(H,19,21)/t12-,13+.
What are the key properties of N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide?
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide has a molecular weight of 416.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-3-iodobenzamide is sourced from PubChem (CID 51532518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).