(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide

C15H22N4O4 — CID 9198346

IUPAC(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H22N4O4/c1-10(14(21)18-15(22)16-2)19(3)9-13(20)17-11-6-5-7-12(8-11)23-4/h5-8,10H,9H2,1-4H3,(H,17,20)(H2,16,18,21,22)/t10-/m1/s1
InChIKeyXZLTUBNMBDKFMB-SNVBAGLBSA-N
MW322.37 g/mol
LogP0.41
Rot. Bonds6

About (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide

(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 9198346) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID9198346
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Name(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(OC)c1
InChIInChI=1S/C15H22N4O4/c1-10(14(21)18-15(22)16-2)19(3)9-13(20)17-11-6-5-7-12(8-11)23-4/h5-8,10H,9H2,1-4H3,(H,17,20)(H2,16,18,21,22)/t10-/m1/s1
InChIKeyXZLTUBNMBDKFMB-SNVBAGLBSA-N
XLogP0.41
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N,N-dimethylpropanamide
CID 8555923
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
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 8555354
(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
(2S)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9223025
N-(3-methoxyphenyl)-2-[methyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetamide
CID 4880688
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8594523
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8556646
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9198399
N-benzyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 17430525

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide (CID 9198346) is (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(OC)c1.
What is the InChIKey of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is XZLTUBNMBDKFMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-10(14(21)18-15(22)16-2)19(3)9-13(20)17-11-6-5-7-12(8-11)23-4/h5-8,10H,9H2,1-4H3,(H,17,20)(H2,16,18,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide?
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 322.37 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 9198346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).