(2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide

C17H25N3O4 — CID 126452811

IUPAC(2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide
SMILESCN(C)C(=O)[C@H]1CN(C(=O)NCCCOc2ccccc2)CCO1
InChIInChI=1S/C17H25N3O4/c1-19(2)16(21)15-13-20(10-12-24-15)17(22)18-9-6-11-23-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyZIEQXMGVKVXRKU-OAHLLOKOSA-N
MW335.40 g/mol
LogP0.95
Rot. Bonds6

About (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide

(2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide (PubChem CID 126452811) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide
PubChem CID126452811
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide
SMILESCN(C)C(=O)[C@H]1CN(C(=O)NCCCOc2ccccc2)CCO1
InChIInChI=1S/C17H25N3O4/c1-19(2)16(21)15-13-20(10-12-24-15)17(22)18-9-6-11-23-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,22)/t15-/m1/s1
InChIKeyZIEQXMGVKVXRKU-OAHLLOKOSA-N
XLogP0.95
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide with MolForge

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Related Compounds

2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 126433926
4-methyl-1-(2-phenoxyethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63721310
4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholine-2-carboxylic acid
CID 106038928
4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
CID 122562275
N-(3-phenoxypropyl)oxolane-2-carboxamide
CID 74588309
4-benzyl-N-(3-phenoxypropyl)piperazine-1-carboxamide
CID 108883110
methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate
CID 78926387
4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide
CID 87036562
(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125154179
4-formyl-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887105
N-(3-phenoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108883277
2-methyl-1-[(4-methylmorpholin-2-yl)methyl]-3-(3-phenoxypropyl)guanidine
CID 111417555

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide?
The IUPAC name of (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide (CID 126452811) is (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide.
What is the SMILES notation for (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide?
The canonical SMILES for (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide is CN(C)C(=O)[C@H]1CN(C(=O)NCCCOc2ccccc2)CCO1.
What is the InChIKey of (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide?
The InChIKey is ZIEQXMGVKVXRKU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-19(2)16(21)15-13-20(10-12-24-15)17(22)18-9-6-11-23-14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-13H2,1-2H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide?
(2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide has a molecular weight of 335.40 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide is sourced from PubChem (CID 126452811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).