(2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide

C15H19Cl2N3O3 — CID 126447521

IUPAC(2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1CN(C(=O)NCc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C15H19Cl2N3O3/c1-19(2)14(21)13-9-20(5-6-23-13)15(22)18-8-10-3-4-11(16)12(17)7-10/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyFDMXSFULVHIYID-ZDUSSCGKSA-N
MW360.24 g/mol
LogP1.99
Rot. Bonds3

About (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide

(2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide (PubChem CID 126447521) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name(2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
PubChem CID126447521
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC Name(2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
SMILESCN(C)C(=O)[C@@H]1CN(C(=O)NCc2ccc(Cl)c(Cl)c2)CCO1
InChIInChI=1S/C15H19Cl2N3O3/c1-19(2)14(21)13-9-20(5-6-23-13)15(22)18-8-10-3-4-11(16)12(17)7-10/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,18,22)/t13-/m0/s1
InChIKeyFDMXSFULVHIYID-ZDUSSCGKSA-N
XLogP1.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide with MolForge

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Related Compounds

4-N-[(5-chloro-2-propoxyphenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
CID 122562275
(2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide
CID 126452811
methyl 4-[(2-pyrrolidin-1-yl-4-pyridinyl)methylcarbamoyl]morpholine-2-carboxylate
CID 136523588
N-[(3,4-dichlorophenyl)methyl]-3-[1-[2-(dimethylamino)-2-oxoethyl]indol-3-yl]pyrrolidine-1-carboxamide
CID 69352377
2-(3,4-dichlorophenyl)-N-propylmorpholine-4-carboxamide
CID 110364326
2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 126433926
4-[(4-chlorophenyl)methyl]-N-[(3,4-dichlorophenyl)methyl]piperazine-1-carboxamide
CID 52934262
N-[(3,4-dichlorophenyl)methyl]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 124852047
4-[3-(aminomethyl)phenyl]-N-[(3,4-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 23587403
4-acetyl-N-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carbothioamide
CID 3866070
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
6-(acetamidomethyl)-7-(3,4-dichlorophenyl)-1,4-oxazepane-4-carboxylic acid
CID 66981152

Frequently Asked Questions

What is the IUPAC name of (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide?
The IUPAC name of (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide (CID 126447521) is (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide.
What is the SMILES notation for (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide?
The canonical SMILES for (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide is CN(C)C(=O)[C@@H]1CN(C(=O)NCc2ccc(Cl)c(Cl)c2)CCO1.
What is the InChIKey of (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide?
The InChIKey is FDMXSFULVHIYID-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19Cl2N3O3/c1-19(2)14(21)13-9-20(5-6-23-13)15(22)18-8-10-3-4-11(16)12(17)7-10/h3-4,7,13H,5-6,8-9H2,1-2H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide?
(2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide has a molecular weight of 360.24 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide is sourced from PubChem (CID 126447521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).