(2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

C18H26ClN3O4 — CID 73214073

IUPAC(2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C
InChIInChI=1S/C18H26ClN3O4/c1-11(2)8-13(10-16(23)22-26)17(24)21-15(18(25)20-3)9-12-4-6-14(19)7-5-12/h4-7,11,13,15,26H,8-10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+/m1/s1
InChIKeyGBQGFHMAHZBVFZ-HIFRSBDPSA-N
MW383.88 g/mol
LogP1.67
Rot. Bonds9

About (2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

(2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (PubChem CID 73214073) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is (2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.

Molecular Properties

Compound Name(2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
PubChem CID73214073
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC Name(2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
SMILESCNC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C
InChIInChI=1S/C18H26ClN3O4/c1-11(2)8-13(10-16(23)22-26)17(24)21-15(18(25)20-3)9-12-4-6-14(19)7-5-12/h4-7,11,13,15,26H,8-10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+/m1/s1
InChIKeyGBQGFHMAHZBVFZ-HIFRSBDPSA-N
XLogP1.67
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'-hydroxy-N-[(2S)-1-(methylamino)-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 143203076
N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 87854664
(2R)-N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-1-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 10668631
(2R)-N'-hydroxy-N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 10599902
(2R)-N-[(2S)-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 24850919
N-[1-[[1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 75641285
(2R)-N-[(2S)-1-(benzylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 87854627
4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-[(2-sulfanylphenyl)methyl]pentanamide
CID 73081829
(3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide
CID 11088967
(2R)-2-[2-(4-ethoxyphenoxy)ethyl]-N'-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]butanediamide
CID 18395280
2-amino-4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 21262270
(2S)-2-amino-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 18394511

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The IUPAC name of (2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (CID 73214073) is (2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.
What is the SMILES notation for (2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The canonical SMILES for (2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is CNC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](CC(=O)NO)CC(C)C.
What is the InChIKey of (2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
The InChIKey is GBQGFHMAHZBVFZ-HIFRSBDPSA-N. The full InChI is InChI=1S/C18H26ClN3O4/c1-11(2)8-13(10-16(23)22-26)17(24)21-15(18(25)20-3)9-12-4-6-14(19)7-5-12/h4-7,11,13,15,26H,8-10H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)/t13-,15+/m1/s1.
What are the key properties of (2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?
(2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide has a molecular weight of 383.88 g/mol, XLogP of 1.67, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 73214073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).