(2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide

C18H33N3O4S — CID 57161006

IUPAC(2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide
SMILESC=C(C)N(O)C(=O)C[C@@H](CC(C)C)C(=O)NC(C(=O)NC)C(C)(C)SC
InChIInChI=1S/C18H33N3O4S/c1-11(2)9-13(10-14(22)21(25)12(3)4)16(23)20-15(17(24)19-7)18(5,6)26-8/h11,13,15,25H,3,9-10H2,1-2,4-8H3,(H,19,24)(H,20,23)/t13-,15?/m1/s1
InChIKeyMOSSDEYBFYPZSR-AFYYWNPRSA-N
MW387.55 g/mol
LogP2.16
Rot. Bonds10

About (2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide

(2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide (PubChem CID 57161006) has the molecular formula C18H33N3O4S and a molecular weight of 387.55 g/mol. Its IUPAC name is (2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide
PubChem CID57161006
Molecular FormulaC18H33N3O4S
Molecular Weight387.55 g/mol
Exact Mass387.22
IUPAC Name(2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide
SMILESC=C(C)N(O)C(=O)C[C@@H](CC(C)C)C(=O)NC(C(=O)NC)C(C)(C)SC
InChIInChI=1S/C18H33N3O4S/c1-11(2)9-13(10-14(22)21(25)12(3)4)16(23)20-15(17(24)19-7)18(5,6)26-8/h11,13,15,25H,3,9-10H2,1-2,4-8H3,(H,19,24)(H,20,23)/t13-,15?/m1/s1
InChIKeyMOSSDEYBFYPZSR-AFYYWNPRSA-N
XLogP2.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide;3-[2-(dithiolan-4-yl)ethyl]-N-hydroxy-5-methylhexanamide
CID 158507208
(2R)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-methylbutanediamide
CID 135172784
N-[3,3-dimethyl-1-(methylamino)butan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 123941251
(2R)-N'-[(2,4-dimethoxyphenyl)methoxy]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-[(2,4,6-trimethoxyphenyl)methyl]butanediamide
CID 15851481
tert-butyl (2R,3S)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methyl-2-methylsulfanylhexanoate
CID 10549124
N,2-dihydroxy-N'-[3-methyl-1-(methylamino)-3-methylsulfonyl-1-oxobutan-2-yl]-3-(2-methylpropyl)butanediamide
CID 54385621
6,6-dimethyl-3-(2-methylpropyl)heptane-2,5-dione
CID 167540042
(4-benzylphenyl)methyl-[(2S)-2-[[(2R)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-4-methylpentyl]phosphinic acid
CID 57031229
(3R)-3-[[1-(benzylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-5-methylhexanoic acid
CID 10523588
tert-butyl N-methyl-N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 141416319
(2R)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-octylbutanediamide
CID 10474389
(2S)-2-(2-acetamidopropan-2-yl)-N,4-dimethylpentanamide
CID 89013212

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide?
The IUPAC name of (2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide (CID 57161006) is (2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide.
What is the SMILES notation for (2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide?
The canonical SMILES for (2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide is C=C(C)N(O)C(=O)C[C@@H](CC(C)C)C(=O)NC(C(=O)NC)C(C)(C)SC.
What is the InChIKey of (2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide?
The InChIKey is MOSSDEYBFYPZSR-AFYYWNPRSA-N. The full InChI is InChI=1S/C18H33N3O4S/c1-11(2)9-13(10-14(22)21(25)12(3)4)16(23)20-15(17(24)19-7)18(5,6)26-8/h11,13,15,25H,3,9-10H2,1-2,4-8H3,(H,19,24)(H,20,23)/t13-,15?/m1/s1.
What are the key properties of (2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide?
(2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide has a molecular weight of 387.55 g/mol, XLogP of 2.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-N-[3-methyl-1-(methylamino)-3-methylsulfanyl-1-oxobutan-2-yl]-2-(2-methylpropyl)-N'-prop-1-en-2-ylbutanediamide is sourced from PubChem (CID 57161006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).