(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide

C15H23N3O3 — CID 8555923

IUPAC(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
SMILESCOc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-11(15(20)17(2)3)18(4)10-14(19)16-12-7-6-8-13(9-12)21-5/h6-9,11H,10H2,1-5H3,(H,16,19)/t11-/m1/s1
InChIKeyPXCVROMPAVHKBY-LLVKDONJSA-N
MW293.37 g/mol
LogP1.04
Rot. Bonds6

About (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide

(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide (PubChem CID 8555923) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
PubChem CID8555923
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
SMILESCOc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-11(15(20)17(2)3)18(4)10-14(19)16-12-7-6-8-13(9-12)21-5/h6-9,11H,10H2,1-5H3,(H,16,19)/t11-/m1/s1
InChIKeyPXCVROMPAVHKBY-LLVKDONJSA-N
XLogP1.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 17430525
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9198346
N-[(3-fluorophenyl)methyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 46561832
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
2-[[2-(3-ethynylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 78902898
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 8555354
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
N-(2,4-dichlorophenyl)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 46601499
2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8000597
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2R)-2-phenylbutyl]propanamide
CID 8556267
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 8556272

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide (CID 8555923) is (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide is COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)N(C)C)c1.
What is the InChIKey of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide?
The InChIKey is PXCVROMPAVHKBY-LLVKDONJSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(15(20)17(2)3)18(4)10-14(19)16-12-7-6-8-13(9-12)21-5/h6-9,11H,10H2,1-5H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide?
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 8555923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).