(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide

C16H24N4O4 — CID 94796559

IUPAC(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)cc1OCC(=O)N(C)C
InChIInChI=1S/C16H24N4O4/c1-10-6-7-12(13(8-10)24-9-14(21)20(4)5)18-11(2)15(22)19-16(23)17-3/h6-8,11,18H,9H2,1-5H3,(H2,17,19,22,23)/t11-/m1/s1
InChIKeyIWIMBMHXUCBMEF-LLVKDONJSA-N
MW336.39 g/mol
LogP0.72
Rot. Bonds6

About (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide

(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide (PubChem CID 94796559) has the molecular formula C16H24N4O4 and a molecular weight of 336.39 g/mol. Its IUPAC name is (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide
PubChem CID94796559
Molecular FormulaC16H24N4O4
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)cc1OCC(=O)N(C)C
InChIInChI=1S/C16H24N4O4/c1-10-6-7-12(13(8-10)24-9-14(21)20(4)5)18-11(2)15(22)19-16(23)17-3/h6-8,11,18H,9H2,1-5H3,(H2,17,19,22,23)/t11-/m1/s1
InChIKeyIWIMBMHXUCBMEF-LLVKDONJSA-N
XLogP0.72
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(2-methylphenyl)propanamide
CID 52506239
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
N,N-dimethyl-2-[5-methyl-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63639445
2-[2-[[4-(hydroxymethyl)phenyl]methylamino]-5-methylphenoxy]-N,N-dimethylacetamide
CID 110006577
(2S)-2-(2,5-diethoxyanilino)-N-(methylcarbamoyl)propanamide
CID 94104980
2-(2-fluoro-5-methylphenoxy)-N,N-dimethylacetamide
CID 64853369
2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052
(2R)-N-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 94647418
ethyl N-[2-methyl-3-[[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 94794030
N,N-dimethyl-2-[5-methyl-2-[1-(propylamino)ethyl]phenoxy]acetamide
CID 63640123
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 7814561
cis-(1S,2R)-2-[[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylphenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 146106643

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide (CID 94796559) is (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)Nc1ccc(C)cc1OCC(=O)N(C)C.
What is the InChIKey of (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide?
The InChIKey is IWIMBMHXUCBMEF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N4O4/c1-10-6-7-12(13(8-10)24-9-14(21)20(4)5)18-11(2)15(22)19-16(23)17-3/h6-8,11,18H,9H2,1-5H3,(H2,17,19,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide?
(2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[2-(dimethylamino)-2-oxoethoxy]-4-methylanilino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 94796559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).