(3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide

C18H29N3O3 — CID 11088967

IUPAC(3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC[C@@H](CC(=O)NO)CC(C)C
InChIInChI=1S/C18H29N3O3/c1-13(2)9-15(11-17(22)21-24)12-20-16(18(23)19-3)10-14-7-5-4-6-8-14/h4-8,13,15-16,20,24H,9-12H2,1-3H3,(H,19,23)(H,21,22)/t15-,16+/m1/s1
InChIKeyITGISMKWMPBWOT-CVEARBPZSA-N
MW335.45 g/mol
LogP1.49
Rot. Bonds10

About (3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide

(3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide (PubChem CID 11088967) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is (3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide.

Molecular Properties

Compound Name(3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide
PubChem CID11088967
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name(3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide
SMILESCNC(=O)[C@H](Cc1ccccc1)NC[C@@H](CC(=O)NO)CC(C)C
InChIInChI=1S/C18H29N3O3/c1-13(2)9-15(11-17(22)21-24)12-20-16(18(23)19-3)10-14-7-5-4-6-8-14/h4-8,13,15-16,20,24H,9-12H2,1-3H3,(H,19,23)(H,21,22)/t15-,16+/m1/s1
InChIKeyITGISMKWMPBWOT-CVEARBPZSA-N
XLogP1.49
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.49
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

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
N'-hydroxy-N-[(2S)-1-(methylamino)-3-(4-methylphenyl)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 143203076
(2R)-N-[(2S)-3-(4-chlorophenyl)-1-(methylamino)-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 73214073
4-methyl-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-[(2-sulfanylphenyl)methyl]pentanamide
CID 73081829
N'-hydroxy-N-[(2S)-1-(methylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
CID 87854664
(2S)-2-[[(1R,2S,3S)-2-[2-(hydroxyamino)-2-oxoethyl]-3-propan-2-ylcyclopropyl]amino]-N-methyl-3-phenylpropanamide
CID 10991226
(2S)-2-(benzylamino)-N-methyl-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 174941177
(2S)-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-[(2-phenylethanethioyl)amino]pentanamide
CID 18394512
4-methyl-2-[(2-methyl-3-phenylpropyl)amino]pentanoic acid
CID 122044135
(2R)-2-[(2-aminoacetyl)amino]-N-methyl-3-phenylpropanamide
CID 11142613
(2R)-2-amino-N-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 11059230

Frequently Asked Questions

What is the IUPAC name of (3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide?
The IUPAC name of (3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide (CID 11088967) is (3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide.
What is the SMILES notation for (3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide?
The canonical SMILES for (3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide is CNC(=O)[C@H](Cc1ccccc1)NC[C@@H](CC(=O)NO)CC(C)C.
What is the InChIKey of (3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide?
The InChIKey is ITGISMKWMPBWOT-CVEARBPZSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)9-15(11-17(22)21-24)12-20-16(18(23)19-3)10-14-7-5-4-6-8-14/h4-8,13,15-16,20,24H,9-12H2,1-3H3,(H,19,23)(H,21,22)/t15-,16+/m1/s1.
What are the key properties of (3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide?
(3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide has a molecular weight of 335.45 g/mol, XLogP of 1.49, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-hydroxy-5-methyl-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]hexanamide is sourced from PubChem (CID 11088967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).