2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide

C15H21IN2O2 — CID 47145118

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2cccc(I)c2)CC(C)O1
InChIInChI=1S/C15H21IN2O2/c1-10-8-18(9-11(2)20-10)12(3)15(19)17-14-6-4-5-13(16)7-14/h4-7,10-12H,8-9H2,1-3H3,(H,17,19)
InChIKeyPUNUKBUSKTWOKQ-UHFFFAOYSA-N
MW388.25 g/mol
LogP2.73
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide

2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide (PubChem CID 47145118) has the molecular formula C15H21IN2O2 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide
PubChem CID47145118
Molecular FormulaC15H21IN2O2
Molecular Weight388.25 g/mol
Exact Mass388.06
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide
SMILESCC1CN(C(C)C(=O)Nc2cccc(I)c2)CC(C)O1
InChIInChI=1S/C15H21IN2O2/c1-10-8-18(9-11(2)20-10)12(3)15(19)17-14-6-4-5-13(16)7-14/h4-7,10-12H,8-9H2,1-3H3,(H,17,19)
InChIKeyPUNUKBUSKTWOKQ-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.25
LogP ≤ 52.73
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

(2R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 98938107
(2S)-N-(3-acetylphenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 8900075
(2R)-N-(3-cyanophenyl)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 99850769
N-(4-acetamidophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 47005800
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 9249085
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908
N-(3-chloro-4-cyanophenyl)-2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 46631115
(2S)-N-(4-cyanophenyl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanamide
CID 2653628
(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-nitrophenyl)propanamide
CID 25401165
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774
N-(3-chlorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 18083488

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide (CID 47145118) is 2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide is CC1CN(C(C)C(=O)Nc2cccc(I)c2)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide?
The InChIKey is PUNUKBUSKTWOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21IN2O2/c1-10-8-18(9-11(2)20-10)12(3)15(19)17-14-6-4-5-13(16)7-14/h4-7,10-12H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide?
2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide has a molecular weight of 388.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-(3-iodophenyl)propanamide is sourced from PubChem (CID 47145118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).